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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00020870

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1MRN-METHYLANILINEX2OTZ0.74
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.72
ETP3-(4-BENZENESULFONYL-THIOPHENE-
2-SULFONYLAMINO)-PHENYLBORONIC ACID
A,B1GA90.72
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.74
XYD2,5-DIMETHYLANILINEA1L4L0.74
NIT4-NITROANILINEC,D1RMH0.71
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.71
NIT4-NITROANILINEB1VBS0.71
NIT4-NITROANILINEC1V9T0.71
NIT4-NITROANILINEC,D1VBT0.71
NIT4-NITROANILINEB1LOP0.71
NIT4-NITROANILINEC,D1ZKF0.71
NIT4-NITROANILINEB1PIP0.71
1AN2-FLUOROANILINEA1LGW0.78
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.8
CS1S-(2-ANILINYL-SULFANYL)-CYSTEINEA,B2OMA0.72
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.79
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.79
34A3,4-DIMETHYLANILINEA1L4K0.72
NYLN-ALLYL-ANILINEA1OVK0.71
ISOPARA-ISOPROPYLANILINEA1BMA0.72
ISOPARA-ISOPROPYLANILINEA,B1ELC0.72
ISOPARA-ISOPROPYLANILINEA,B1ELB0.72
ISOPARA-ISOPROPYLANILINEA,B1ELA0.72
NHP4-(2-AMINOPHENYLTHIO)-BUTYLPHOSPHONIC ACIDA,B1CX90.84
PHZ1-PHENYLHYDRAZINEA2E2T0.75
PHZ1-PHENYLHYDRAZINED,H2AGL0.75
PRY2-PROPYL-ANILINEA1OWY0.74
5BM(2Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrileA3EQH0.8
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.7
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.74
URSN-PHENYLTHIOUREAA,B1BUG0.71
AAS3-ACTOXYMERCURI-4-AMINOBENZENESULFONAMIDEA1CZM0.74
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.81
ANLANILINEA2OV40.81
ANLANILINEA1AEE0.81
ANLANILINEA1PPA0.81
ANLANILINEA1HJ90.81
NBENITROSOBENZENEA1LH70.73
NBENITROSOBENZENEA2LH70.73
NBENITROSOBENZENEA2NSS0.73
SANSULFANILAMIDEA1AJ00.8
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.71
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.71
5AN3,5-DIFLUOROANILINEA1LGX0.76
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.79
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.8