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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00003862

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1MRN-METHYLANILINEX2OTZ0.74
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.73
XYD2,5-DIMETHYLANILINEA1L4L0.73
NINDINITROPHENYLENEA1RSM0.7
NINDINITROPHENYLENEA1GVY0.7
NINDINITROPHENYLENEA1GW10.7
URSN-PHENYLTHIOUREAA,B1BUG0.72
NIT4-NITROANILINEC,D1RMH0.76
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.76
NIT4-NITROANILINEB1VBS0.76
NIT4-NITROANILINEC1V9T0.76
NIT4-NITROANILINEC,D1VBT0.76
NIT4-NITROANILINEB1LOP0.76
NIT4-NITROANILINEC,D1ZKF0.76
NIT4-NITROANILINEB1PIP0.76
PBZP-AMINO BENZAMIDINEA,B2BDG0.7
PBZP-AMINO BENZAMIDINEA1RFN0.7
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.7
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.7
PBZP-AMINO BENZAMIDINEA1FIZ0.7
PBZP-AMINO BENZAMIDINEA1FIW0.7
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.7
SANSULFANILAMIDEA1AJ00.72
ANLANILINEA2OV40.86
ANLANILINEA1AEE0.86
ANLANILINEA1PPA0.86
ANLANILINEA1HJ90.86
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.73
BRNBERENILA,B268D0.71
BRNBERENILA,B1D630.71
BRNBERENILA,D,E2GBY0.71
BRNBERENILA2DBE0.71
BRNBERENILA2GVR0.71
PHZ1-PHENYLHYDRAZINEA2E2T0.95
PHZ1-PHENYLHYDRAZINED,H2AGL0.95
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.79
BZZBENZYLHYDRAZINEA,B2E2V0.7
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.78
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.78
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.78
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.78
PL01-phenylguanidineA2O8W0.71
1AN2-FLUOROANILINEA1LGW0.89
PRY2-PROPYL-ANILINEA1OWY0.74
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.81
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.75
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.7
U134-(4-FLUORO-PHENYLAZO)-5-IMINO-
5H-PYRAZOL-3-YLAMINE
A2GG30.76
NBENITROSOBENZENEA1LH70.77
NBENITROSOBENZENEA2LH70.77
NBENITROSOBENZENEA2NSS0.77
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.7
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.81
5AN3,5-DIFLUOROANILINEA1LGX0.87
NBZNITROBENZENEA,B2BMQ0.72
NBZNITROBENZENEA,B3BGU0.72
ISOPARA-ISOPROPYLANILINEA1BMA0.71
ISOPARA-ISOPROPYLANILINEA,B1ELC0.71
ISOPARA-ISOPROPYLANILINEA,B1ELB0.71
ISOPARA-ISOPROPYLANILINEA,B1ELA0.71
NYLN-ALLYL-ANILINEA1OVK0.72
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.84
34A3,4-DIMETHYLANILINEA1L4K0.71
264(phenylamino)acetonitrileA2RBN0.72