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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01089455

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NBENITROSOBENZENEA1LH70.71
NBENITROSOBENZENEA2LH70.71
NBENITROSOBENZENEA2NSS0.71
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.74
XYD2,5-DIMETHYLANILINEA1L4L0.74
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.78
5AN3,5-DIFLUOROANILINEA1LGX0.74
SBN2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFONYLBENZONITRILEA1JLQ0.71
1MRN-METHYLANILINEX2OTZ0.73
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.7
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.72
PRY2-PROPYL-ANILINEA1OWY0.75
34A3,4-DIMETHYLANILINEA1L4K0.72
AAS3-ACTOXYMERCURI-4-AMINOBENZENESULFONAMIDEA1CZM0.76
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
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.81
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.81
ETP3-(4-BENZENESULFONYL-THIOPHENE-
2-SULFONYLAMINO)-PHENYLBORONIC ACID
A,B1GA90.75
PHZ1-PHENYLHYDRAZINEA2E2T0.73
PHZ1-PHENYLHYDRAZINED,H2AGL0.73
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.7
ANLANILINEA2OV40.79
ANLANILINEA1AEE0.79
ANLANILINEA1PPA0.79
ANLANILINEA1HJ90.79
5BM(2Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrileA3EQH0.77
ROK4-AMINO-N-[(2-SULFANYLETHYL)CARBAMOYL]BENZENESULFONAMIDEA,B,C,D,E,F,
G,H
2VT50.72
1AN2-FLUOROANILINEA1LGW0.76
SANSULFANILAMIDEA1AJ00.8
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.82
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.72
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.79
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.78
CS1S-(2-ANILINYL-SULFANYL)-CYSTEINEA,B2OMA0.71