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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02629898

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.73
XYD2,5-DIMETHYLANILINEA1L4L0.73
1AN2-FLUOROANILINEA1LGW0.77
5AN3,5-DIFLUOROANILINEA1LGX0.75
ROK4-AMINO-N-[(2-SULFANYLETHYL)CARBAMOYL]BENZENESULFONAMIDEA,B,C,D,E,F,
G,H
2VT50.71
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.8
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.8
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.78
5BM(2Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrileA3EQH0.81
CS1S-(2-ANILINYL-SULFANYL)-CYSTEINEA,B2OMA0.75
1MRN-METHYLANILINEX2OTZ0.72
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.79
PHZ1-PHENYLHYDRAZINEA2E2T0.74
PHZ1-PHENYLHYDRAZINED,H2AGL0.74
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.71
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.71
ETP3-(4-BENZENESULFONYL-THIOPHENE-
2-SULFONYLAMINO)-PHENYLBORONIC ACID
A,B1GA90.75
GNR2-(3,4-DIHYDRO-3-OXO-2H-BENZO[B][1,4]THIAZIN-
2-YL)-N-HYDROXYACETAMIDE
A,B1S170.72
PRY2-PROPYL-ANILINEA1OWY0.74
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.78
NHP4-(2-AMINOPHENYLTHIO)-BUTYLPHOSPHONIC ACIDA,B1CX90.87
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.79
AAS3-ACTOXYMERCURI-4-AMINOBENZENESULFONAMIDEA1CZM0.73
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.71
NBENITROSOBENZENEA1LH70.72
NBENITROSOBENZENEA2LH70.72
NBENITROSOBENZENEA2NSS0.72
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.71
SANSULFANILAMIDEA1AJ00.79
ISOPARA-ISOPROPYLANILINEA1BMA0.71
ISOPARA-ISOPROPYLANILINEA,B1ELC0.71
ISOPARA-ISOPROPYLANILINEA,B1ELB0.71
ISOPARA-ISOPROPYLANILINEA,B1ELA0.71
NYLN-ALLYL-ANILINEA1OVK0.72
34A3,4-DIMETHYLANILINEA1L4K0.71
ANLANILINEA2OV40.8
ANLANILINEA1AEE0.8
ANLANILINEA1PPA0.8
ANLANILINEA1HJ90.8