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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02280919

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.71
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.71
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.71
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.71
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.71
BSU1,3-DIPHENYLUREAA3E850.8
BSU1,3-DIPHENYLUREAA2ZJF0.8
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.78
G1L3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDEA,B2I800.77
LGD6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-
4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-
ONE
A2HVC0.7
NYLN-ALLYL-ANILINEA1OVK0.82
G30(1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acidA3G300.7
4NDN4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUANIDINEH,I1NO90.7
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H1UB50.7
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,B,H,L3CFB0.7
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H3CFD0.7
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,L1FL30.7
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.81
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.7
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.73
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.74
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.74
GNR2-(3,4-DIHYDRO-3-OXO-2H-BENZO[B][1,4]THIAZIN-
2-YL)-N-HYDROXYACETAMIDE
A,B1S170.7
ANLANILINEA2OV40.74
ANLANILINEA1AEE0.74
ANLANILINEA1PPA0.74
ANLANILINEA1HJ90.74
EOB{1,3-PHENYLENEBIS[IMINO(2-OXOETHANE-
2,1-DIYL)]}BIS(PHOSPHONIC ACID)
A,B,C,D2FZG0.79
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.74
URSN-PHENYLTHIOUREAA,B1BUG0.75
264(phenylamino)acetonitrileA2RBN0.79
PL01-phenylguanidineA2O8W0.74
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.71
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.74
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1C3S0.82
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C3C0Z0.82
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1T690.82
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C,D1ZZ10.82
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.73
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.75
566(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-
3-CARBOXAMIDE
A2H7I0.75
1AN2-FLUOROANILINEA1LGW0.71
TYXS-(2-ANILINO-2-OXOETHYL)-L-CYSTEINEA2PQT0.74
2T3(2R,3R)-4-ANILINO-2,3-DIHYDROXY-
4-OXOBUTANOIC ACID
A2P360.7
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.88
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.88
IDMINDOLINEA,B3CEP0.7
IDMINDOLINEA1AEK0.7
BHM(R)-3-BROMO-2-HYDROXY-2-METHYL-
N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
A2AX90.72
665(3S)-N-(3-BROMOPHENYL)-1-CYCLOHEXYL-
5-OXOPYRROLIDINE-3-CARBOXAMIDE
A2H7L0.74
1MRN-METHYLANILINEX2OTZ0.79
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.72
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.77
G3E3-hydroxyquinolin-2(1H)-oneA,B,C,D3G3E0.7
CF39,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDEA,B,C,D2GH60.81
CBE2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-
OXATHIINE-3-CARBOXAMIDE
A,B,C,D,N,O,
P,Q
2FBW0.75