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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00006512

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.77
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.77
LJGN,N'-(iminodiethane-2,1-diyl)bis[4-
amino-N-(2-methylpropyl)benzenesulfonamide]
B3BGB0.71
URSN-PHENYLTHIOUREAA,B1BUG0.7
5AN3,5-DIFLUOROANILINEA1LGX0.74
ANLANILINEA2OV40.78
ANLANILINEA1AEE0.78
ANLANILINEA1PPA0.78
ANLANILINEA1HJ90.78
PRY2-PROPYL-ANILINEA1OWY0.72
NYLN-ALLYL-ANILINEA1OVK0.71
PHZ1-PHENYLHYDRAZINEA2E2T0.74
PHZ1-PHENYLHYDRAZINED,H2AGL0.74
1MRN-METHYLANILINEX2OTZ0.7
SANSULFANILAMIDEA1AJ00.81
NBENITROSOBENZENEA1LH70.7
NBENITROSOBENZENEA2LH70.7
NBENITROSOBENZENEA2NSS0.7
AAS3-ACTOXYMERCURI-4-AMINOBENZENESULFONAMIDEA1CZM0.75
ETP3-(4-BENZENESULFONYL-THIOPHENE-
2-SULFONYLAMINO)-PHENYLBORONIC ACID
A,B1GA90.76
NIT4-NITROANILINEC,D1RMH0.7
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.7
NIT4-NITROANILINEB1VBS0.7
NIT4-NITROANILINEC1V9T0.7
NIT4-NITROANILINEC,D1VBT0.7
NIT4-NITROANILINEB1LOP0.7
NIT4-NITROANILINEC,D1ZKF0.7
NIT4-NITROANILINEB1PIP0.7
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.8
1AN2-FLUOROANILINEA1LGW0.76
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.71
264(phenylamino)acetonitrileA2RBN0.7
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.77
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.77
NHP4-(2-AMINOPHENYLTHIO)-BUTYLPHOSPHONIC ACIDA,B1CX90.8
5BM(2Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrileA3EQH0.84
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.71
XYD2,5-DIMETHYLANILINEA1L4L0.71
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.77
SBN2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFONYLBENZONITRILEA1JLQ0.75
BSU1,3-DIPHENYLUREAA3E850.72
BSU1,3-DIPHENYLUREAA2ZJF0.72