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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01752834

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IIDN-(1-ISOPROPYLPIPERIDIN-4-YL)-1-
(3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE
A,B2BQ70.71
AKPN-(PYRAZIN-2-YLCARBONYL)LEUCYLISOLEUCYL-
N~1~-{1-[2-({1-CARBOXY-2-[4-(PHOSPHONOOXY)PHENYL]ETHYL}AMINO)-
1,1-DIHYDROXY-2-OXOETHYL]BUT-3-
ENYL}-3-CYCLOHEXYLALANINAMIDE
A,B1RGQ0.76
896N-ETHYL-N-ISOPROPYL-3-METHYL-5-
{[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE
B,H2UUJ0.73
337N-benzyl-1-[5-({5-tert-butyl-2-
methoxy-3-[(methylsulfonyl)amino]phenyl}carbamoyl)-
2-methylphenyl]-1H-1,2,3-triazole-
4-carboxamide
A3CTQ0.72
CGSN-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-
PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE
A,B,C,D2W0D0.71
CGSN-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-
PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE
A3AYK0.71
CGSN-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-
PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE
A,B1JIZ0.71
CGSN-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-
PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE
A4AYK0.71
D1GN,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN-
2-YL)METHANAMINE
A,B,C,D2FDU0.71
D3G(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINEA,B,C,D2FDW0.71
WAYN-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)-
PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL-
BENZAMIDE
A1FLS0.73
WAYN-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)-
PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL-
BENZAMIDE
A1FM10.73
BO2N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-
N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE
2,H,K,N,V,Y2F160.74
BAX4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-
N-METHYLPYRIDINE-2-CARBOXAMIDE
A,B1UWH0.7
BAX4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-
N-METHYLPYRIDINE-2-CARBOXAMIDE
A,B1UWJ0.7
BLP(5-HYDROXY-6-METHYL-4-((2-(2-(2-
NITROBENZAMIDO)ACETYL)HYDRAZINYL)METHYL)PYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE
A,B2GQN0.7
D2GN-METHYL(5-(PYRIDIN-3-YL)FURAN-
2-YL)METHANAMINE
A,B,C,D2FDV0.72
I04N-{(3R,4R)-4-[4-(2-FLUORO-6-HYDROXY-
3-METHOXY-BENZOYL)-BENZOYLAMINO]-
AZEPAN-3-YL}ISONICOTINAMIDE
A1SVG0.7
897N-[3-(TERT-BUTYLAMINO)-3-OXOPROPYL]-
N-ISOPROPYL-3-METHYL-5-{[(2S)-2-
(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE
B,H2UUK0.73
BI54-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDEA1ZYJ0.76
R862-{(2R)-4-[2-(1H-IMIDAZOL-1-YL)-
6-METHYLPYRIMIDIN-4-YL]-1-ISOBUTYRYLPIPERAZIN-
2-YL}-N-[2-(4-METHOXYPHENYL)ETHYL]ACETAMIDE
A2ORP0.71
8935-CYANO-N-(2,5-DIMETHOXYBENZYL)-
6-ETHOXYPYRIDINE-2-CARBOXAMIDE
A,B2H960.7