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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02221230

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NBENITROSOBENZENEA1LH70.76
NBENITROSOBENZENEA2LH70.76
NBENITROSOBENZENEA2NSS0.76
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.7
PHZ1-PHENYLHYDRAZINEA2E2T0.7
PHZ1-PHENYLHYDRAZINED,H2AGL0.7
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.76
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.74
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.7
1AN2-FLUOROANILINEA1LGW0.73
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.7
PRY2-PROPYL-ANILINEA1OWY0.71
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.84
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.84
SANSULFANILAMIDEA1AJ00.71
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.76
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.71
ANLANILINEA2OV40.76
ANLANILINEA1AEE0.76
ANLANILINEA1PPA0.76
ANLANILINEA1HJ90.76
NBZNITROBENZENEA,B2BMQ0.72
NBZNITROBENZENEA,B3BGU0.72
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.71
XYD2,5-DIMETHYLANILINEA1L4L0.71
5AN3,5-DIFLUOROANILINEA1LGX0.71
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.7
1MRN-METHYLANILINEX2OTZ0.71