| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L032981
BDB032981
|
4-isopropyl-2-methyl-N-(5-nitrothiazol-2-yl)benzamide
Cc1cc(C(C)C)ccc1C(=O)Nc1ncc([N+](=O)[O-])s1
|
C14H15N3O3S 305.359000 |
INRCAXIWEISXOO-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655752; PubChem:CID167361701
|
Local ready
Direct docking supported
|
|
E3L032982
BDB032982
|
BDBM655753
CCCCNc1ccc(C(=O)Nc2ncc([N+](=O)[O-])s2)c(C)c1
|
C15H18N4O3S 334.401000 |
RGZILZUSHLIYIA-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655753; PubChem:CID167361573
|
Local ready
Direct docking supported
|
|
E3L032983
BDB032983
|
BDBM655754
CNc1ccc(C(=O)Nc2ncc([N+](=O)[O-])s2)c(C)c1
|
C12H12N4O3S 292.320000 |
YXDWUHDPOUSLEA-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655754; PubChem:CID167361742
|
Local ready
Direct docking supported
|
|
E3L032984
BDB032984
|
BDBM655755
Cc1cc(N(C)C)ccc1C(=O)Nc1ncc([N+](=O)[O-])s1
|
C13H14N4O3S 306.347000 |
MLUBDUZHDKEKIS-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655755; PubChem:CID167361409
|
Local ready
Direct docking supported
|
|
E3L032985
BDB032985
|
BDBM655756
CCNc1cccc(OCC)c1C(=O)Nc1ncc([N+](=O)[O-])s1
|
C14H16N4O4S 336.373000 |
RAFLASLEWMJFTR-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655756; PubChem:CID167361653
|
Local ready
Direct docking supported
|
|
E3L032986
BDB032986
|
BDBM655757
CCNc1cccc(C)c1C(=O)Nc1ncc([N+](=O)[O-])s1
|
C13H14N4O3S 306.347000 |
NLANGHKXPCOBOL-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655757; PubChem:CID167361431
|
Local ready
Direct docking supported
|
|
E3L032987
BDB032987
|
BDBM655758
CC(=O)Oc1cccc(C)c1C(=O)Nc1ncc([N+](=O)[O-])s1
|
C13H11N3O5S 321.314000 |
ZZYYSLSQRHACBF-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655758; PubChem:CID167361849
|
Local ready
Direct docking supported
|
|
E3L032988
BDB032988
|
4-fluoro-2-methyl-N-(5-nitro-2-thiazolyl)Benzamide
Cc1cc(F)ccc1C(=O)Nc1ncc([N+](=O)[O-])s1
|
C11H8FN3O3S 281.268000 |
KNWBFVHUZDBMSM-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655759; PubChem:CID113399917
|
Local ready
Direct docking supported
|
|
E3L032989
BDB032989
|
2,4-dimethyl-N-(5-nitrothiazol-2-yl)benzamide
Cc1ccc(C(=O)Nc2ncc([N+](=O)[O-])s2)c(C)c1
|
C12H11N3O3S 277.305000 |
UIPMPCLVZBBXDF-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655760; PubChem:CID164000559
|
Local ready
Direct docking supported
|
|
E3L032990
BDB032990
|
2-methyl-4-nitro-N-(5-nitrothiazol-2-yl)benzamide
Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ncc([N+](=O)[O-])s1
|
C11H8N4O5S 308.275000 |
RKYGWRSNXAFCRE-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655761; PubChem:CID167361572
|
Local ready
Direct docking supported
|
|
E3L032991
BDB032991
|
2,5-dimethyl-N-(5-nitrothiazol-2-yl)benzamide
Cc1ccc(C)c(C(=O)Nc2ncc([N+](=O)[O-])s2)c1
|
C12H11N3O3S 277.305000 |
FRHGYOHWRQTPJW-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655762; PubChem:CID167361463
|
Local ready
Direct docking supported
|
|
E3L032992
BDB032992
|
2-Methyl-N-(5-methyl-2-thiazolyl)benzamide
Cc1cnc(NC(=O)c2ccccc2C)s1
|
C12H12N2OS 232.308000 |
NKUCUTKBRQLEAM-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655763; PubChem:CID770998
|
Local ready
Direct docking supported
|
|
E3L032993
BDB032993
|
2-methyl-N-(1,3-thiazol-2-yl)benzamide
Cc1ccccc1C(=O)Nc1nccs1
|
C11H10N2OS 218.281000 |
UOJCOUIZCYPYTH-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655764; PubChem:CID689974
|
Local ready
Direct docking supported
|
|
E3L032994
BDB032994
|
Ilpkvlhkrtlgls
CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O)C(C)C
|
C73H131N21O17 1574.981000 |
SSTFKDSRKBPGGI-TVESDACISA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655765; PubChem:CID171392571
|
Local ready
Direct docking supported
|
|
E3L032995
BDB032995
|
Ilpkvwhkrelgls
CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)O)C(C)C
|
C79H130N22O18 1676.045000 |
KYDLWUXIURWKAQ-ZCUSQKMLSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655766; PubChem:CID171392572
|
Local ready
Direct docking supported
|
|
E3L032996
BDB032996
|
Ilpkvlhkrtlgl
CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)O)C(C)C
|
C70H126N20O15 1487.903000 |
BWCNIXJXYLHCII-HYUVAOPMSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655767; PubChem:CID171392573
|
Local ready
Direct docking supported
|
|
E3L032997
BDB032997
|
Ilpkvlhkrtfgl
CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)O)C(C)C
|
C73H124N20O15 1521.920000 |
WUSLFSQWUSGNEU-YUJAFNDYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655768; PubChem:CID171392574
|
Local ready
Direct docking supported
|
|
E3L032998
BDB032998
|
Kvlhkrtlg
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O)[C@@H](C)O
|
C47H86N16O11 1051.306000 |
XBOOBLPWYHOSHH-ZZVRQBHTSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655769; PubChem:CID171392575
|
Local ready
Direct docking supported
|
|
E3L032999
BDB032999
|
Nftsrlnrrasfp
CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(N)=O)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O
|
C68H108N24O19 1565.761000 |
QYVHBFPENACFMM-AIMWPGEKSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655770; PubChem:CID171392576
|
Local ready
Direct docking supported
|
|
E3L033000
BDB033000
|
Srlnrrasf
CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
|
C46H79N19O13 1106.258000 |
LMVXQOAFJAMGJQ-QZRNFYKLSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655771; PubChem:CID171392577
|
Local ready
Direct docking supported
|