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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02222421

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1MRN-METHYLANILINEX2OTZ0.74
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.73
XYD2,5-DIMETHYLANILINEA1L4L0.73
URSN-PHENYLTHIOUREAA,B1BUG0.72
ANLANILINEA2OV40.86
ANLANILINEA1AEE0.86
ANLANILINEA1PPA0.86
ANLANILINEA1HJ90.86
I7C4-AMINO-6-(TRIFLUOROMETHYL)BENZENE-
1,3-DISULFONAMIDE
A2POW0.72
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.79
CS1S-(2-ANILINYL-SULFANYL)-CYSTEINEA,B2OMA0.72
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.78
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.78
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.78
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.78
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.73
U134-(4-FLUORO-PHENYLAZO)-5-IMINO-
5H-PYRAZOL-3-YLAMINE
A2GG30.74
1AN2-FLUOROANILINEA1LGW0.89
PRY2-PROPYL-ANILINEA1OWY0.74
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.73
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.81
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.7
AAS3-ACTOXYMERCURI-4-AMINOBENZENESULFONAMIDEA1CZM0.73
NHP4-(2-AMINOPHENYLTHIO)-BUTYLPHOSPHONIC ACIDA,B1CX90.76
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.83
PHZ1-PHENYLHYDRAZINEA2E2T0.76
PHZ1-PHENYLHYDRAZINED,H2AGL0.76
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.73
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.73
NBENITROSOBENZENEA1LH70.77
NBENITROSOBENZENEA2LH70.77
NBENITROSOBENZENEA2NSS0.77
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.81
5AN3,5-DIFLUOROANILINEA1LGX0.87
5BM(2Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrileA3EQH0.74
NBZNITROBENZENEA,B2BMQ0.72
NBZNITROBENZENEA,B3BGU0.72
ISOPARA-ISOPROPYLANILINEA1BMA0.71
ISOPARA-ISOPROPYLANILINEA,B1ELC0.71
ISOPARA-ISOPROPYLANILINEA,B1ELB0.71
ISOPARA-ISOPROPYLANILINEA,B1ELA0.71
NIT4-NITROANILINEC,D1RMH0.74
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.74
NIT4-NITROANILINEB1VBS0.74
NIT4-NITROANILINEC1V9T0.74
NIT4-NITROANILINEC,D1VBT0.74
NIT4-NITROANILINEB1LOP0.74
NIT4-NITROANILINEC,D1ZKF0.74
NIT4-NITROANILINEB1PIP0.74
SANSULFANILAMIDEA1AJ00.82
NYLN-ALLYL-ANILINEA1OVK0.72
34A3,4-DIMETHYLANILINEA1L4K0.71