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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00018907

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.73
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.73
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.73
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.73
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.83
ISOPARA-ISOPROPYLANILINEA1BMA0.73
ISOPARA-ISOPROPYLANILINEA,B1ELC0.73
ISOPARA-ISOPROPYLANILINEA,B1ELB0.73
ISOPARA-ISOPROPYLANILINEA,B1ELA0.73
NBENITROSOBENZENEA1LH70.76
NBENITROSOBENZENEA2LH70.76
NBENITROSOBENZENEA2NSS0.76
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.74
XYD2,5-DIMETHYLANILINEA1L4L0.74
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.71
1MRN-METHYLANILINEX2OTZ0.75
34A3,4-DIMETHYLANILINEA1L4K0.73
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.72
PHZ1-PHENYLHYDRAZINEA2E2T0.96
PHZ1-PHENYLHYDRAZINED,H2AGL0.96
SANSULFANILAMIDEA1AJ00.73
PRY2-PROPYL-ANILINEA1OWY0.75
ANLANILINEA2OV40.84
ANLANILINEA1AEE0.84
ANLANILINEA1PPA0.84
ANLANILINEA1HJ90.84
NBZNITROBENZENEA,B2BMQ0.71
NBZNITROBENZENEA,B3BGU0.71
URSN-PHENYLTHIOUREAA,B1BUG0.73
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.83
NYLN-ALLYL-ANILINEA1OVK0.73
BRNBERENILA,B268D0.72
BRNBERENILA,B1D630.72
BRNBERENILA,D,E2GBY0.72
BRNBERENILA2DBE0.72
BRNBERENILA2GVR0.72
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.74
264(phenylamino)acetonitrileA2RBN0.73
U134-(4-FLUORO-PHENYLAZO)-5-IMINO-
5H-PYRAZOL-3-YLAMINE
A2GG30.71
PBZP-AMINO BENZAMIDINEA,B2BDG0.71
PBZP-AMINO BENZAMIDINEA1RFN0.71
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.71
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.71
PBZP-AMINO BENZAMIDINEA1FIZ0.71
PBZP-AMINO BENZAMIDINEA1FIW0.71
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.71
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.76
1AN2-FLUOROANILINEA1LGW0.81
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.76
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.83
BZZBENZYLHYDRAZINEA,B2E2V0.71
PL01-phenylguanidineA2O8W0.72
NIT4-NITROANILINEC,D1RMH0.75
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.75
NIT4-NITROANILINEB1VBS0.75
NIT4-NITROANILINEC1V9T0.75
NIT4-NITROANILINEC,D1VBT0.75
NIT4-NITROANILINEB1LOP0.75
NIT4-NITROANILINEC,D1ZKF0.75
NIT4-NITROANILINEB1PIP0.75
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.7
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.7
5AN3,5-DIFLUOROANILINEA1LGX0.79