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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03926645

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
427(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL)PHENYL)GUANIDINE
A1ZMN0.73
BSU1,3-DIPHENYLUREAA3E850.8
BSU1,3-DIPHENYLUREAA2ZJF0.8
CF39,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDEA,B,C,D2GH60.73
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
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.7
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.73
1MRN-METHYLANILINEX2OTZ0.77
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.76
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.74
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.74
TYXS-(2-ANILINO-2-OXOETHYL)-L-CYSTEINEA2PQT0.76
ANLANILINEA2OV40.74
ANLANILINEA1AEE0.74
ANLANILINEA1PPA0.74
ANLANILINEA1HJ90.74
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.71
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1C3S0.77
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C3C0Z0.77
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1T690.77
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C,D1ZZ10.77
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.75
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.76
URSN-PHENYLTHIOUREAA,B1BUG0.75
PL01-phenylguanidineA2O8W0.76
PDM4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-
PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID
A,B,C1L2O0.74
PDM4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-
PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID
A,C1KWO0.74
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.91
NIT4-NITROANILINEC,D1RMH0.72
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.72
NIT4-NITROANILINEB1VBS0.72
NIT4-NITROANILINEC1V9T0.72
NIT4-NITROANILINEC,D1VBT0.72
NIT4-NITROANILINEB1LOP0.72
NIT4-NITROANILINEC,D1ZKF0.72
NIT4-NITROANILINEB1PIP0.72
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.76
1AN2-FLUOROANILINEA1LGW0.71
EOB{1,3-PHENYLENEBIS[IMINO(2-OXOETHANE-
2,1-DIYL)]}BIS(PHOSPHONIC ACID)
A,B,C,D2FZG0.75
2T3(2R,3R)-4-ANILINO-2,3-DIHYDROXY-
4-OXOBUTANOIC ACID
A2P360.7
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.82
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.82
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.72
NYLN-ALLYL-ANILINEA1OVK0.78
G3E3-hydroxyquinolin-2(1H)-oneA,B,C,D3G3E0.7
264(phenylamino)acetonitrileA2RBN0.77