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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03217861

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CF39,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDEA,B,C,D2GH60.74
NYLN-ALLYL-ANILINEA1OVK0.81
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.74
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.74
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.7
XYD2,5-DIMETHYLANILINEA1L4L0.7
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.76
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.77
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.77
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.77
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.77
PL01-phenylguanidineA2O8W0.76
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.7
PRY2-PROPYL-ANILINEA1OWY0.71
ANLANILINEA2OV40.79
ANLANILINEA1AEE0.79
ANLANILINEA1PPA0.79
ANLANILINEA1HJ90.79
NBENITROSOBENZENEA1LH70.78
NBENITROSOBENZENEA2LH70.78
NBENITROSOBENZENEA2NSS0.78
U134-(4-FLUORO-PHENYLAZO)-5-IMINO-
5H-PYRAZOL-3-YLAMINE
A2GG30.71
URSN-PHENYLTHIOUREAA,B1BUG0.76
PHZ1-PHENYLHYDRAZINEA2E2T0.71
PHZ1-PHENYLHYDRAZINED,H2AGL0.71
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.76
BSU1,3-DIPHENYLUREAA3E850.74
BSU1,3-DIPHENYLUREAA2ZJF0.74
1AN2-FLUOROANILINEA1LGW0.81
NBZNITROBENZENEA,B2BMQ0.73
NBZNITROBENZENEA,B3BGU0.73
5AN3,5-DIFLUOROANILINEA1LGX0.81
264(phenylamino)acetonitrileA2RBN0.78
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.72
1MRN-METHYLANILINEX2OTZ0.81
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.75
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.71