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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00019817

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.72
BHOBENZHYDROXAMIC ACIDA,B1GX20.74
BHOBENZHYDROXAMIC ACIDA1HSR0.74
BHOBENZHYDROXAMIC ACIDA,B2ATJ0.74
BHOBENZHYDROXAMIC ACIDA,B4ATJ0.74
BHOBENZHYDROXAMIC ACIDA,B3ATJ0.74
BHOBENZHYDROXAMIC ACIDA3GCK0.74
BHOBENZHYDROXAMIC ACIDA,B,C,D,E,F,
G,H
2BOY0.74
AC01-PHENYLETHANONEA1ZK10.72
AC01-PHENYLETHANONEA1ZK40.72
NID4-NITRO-INDEN-1-ONEA,B1DOH0.77
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.7
PHMPHENYLALANYLMETHANEA,I1PJP0.71
PHMPHENYLALANYLMETHANEA,B,C2J9J0.71
PHMPHENYLALANYLMETHANEA,B,C2JE40.71
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.71
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.71
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.71
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.71
4PG1-[4-(2-oxo-2-phenylethyl)phenyl]guanidineU2R2W0.72
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.75
BVATRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATEB,C2P8O0.74
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE
A,B2OGZ0.72
6054'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-
3-carboxamide
A,B3D4L0.74
3AB3-aminobenzamideA,B,C,D3GOY0.75
HBC(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-
2-YL)-PHENYL-METHANONE
H1JGU0.79
12BBENZO[CD]INDOL-2(1H)-ONEA,B2F670.71
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.72
ANQACENAPHTHENEQUINONEH,J1OAX0.73
BZQDIPHENYLMETHANONEA,B1GT50.77
BZQDIPHENYLMETHANONEA,B1DZP0.77
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.71
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.71
M384-(5,11-DIOXO-5H-INDENO[1,2-C]ISOQUINOLIN-
6(11H)-YL)BUTANOATE
A,C1SC70.72
VK3MENADIONEA1TUV0.72
VK3MENADIONEA,B2QR20.72
RXAisoquinoline-1,3,4(2H)-trioneA,B,C,D3DEH0.72