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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00000206

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3NT3-NITROTOLUENEA,B2BMR0.74
3NT3-NITROTOLUENEA,B2HMO0.74
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.7
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.7
BRNBERENILA,B268D0.79
BRNBERENILA,B1D630.79
BRNBERENILA,D,E2GBY0.79
BRNBERENILA2DBE0.79
BRNBERENILA2GVR0.79
3AB3-aminobenzamideA,B,C,D3GOY0.72
34A3,4-DIMETHYLANILINEA1L4K0.84
PBZP-AMINO BENZAMIDINEA,B2BDG0.77
PBZP-AMINO BENZAMIDINEA1RFN0.77
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.77
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.77
PBZP-AMINO BENZAMIDINEA1FIZ0.77
PBZP-AMINO BENZAMIDINEA1FIW0.77
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.77
PHZ1-PHENYLHYDRAZINEA2E2T0.86
PHZ1-PHENYLHYDRAZINED,H2AGL0.86
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.72
BZZBENZYLHYDRAZINEA,B2E2V0.78
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.74
IDMINDOLINEA,B3CEP0.71
IDMINDOLINEA1AEK0.71
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.84
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.74
9AP9-AMINOPHENANTHRENEA1EGY0.75
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.91
XYD2,5-DIMETHYLANILINEA1L4L0.91
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.73
PNZP-NITRO-BENZYLAMINEA,B2C700.73
1AN2-FLUOROANILINEA1LGW0.73
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.78
TNL2,4,6-TRINITROTOLUENEA1GVR0.7
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.71
ANCANTHRACEN-1-YLAMINEA,B1GT10.76
ANCANTHRACEN-1-YLAMINEA,B1HN20.76
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.74
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.84
PRY2-PROPYL-ANILINEA1OWY0.87
ISOPARA-ISOPROPYLANILINEA1BMA0.82
ISOPARA-ISOPROPYLANILINEA,B1ELC0.82
ISOPARA-ISOPROPYLANILINEA,B1ELB0.82
ISOPARA-ISOPROPYLANILINEA,B1ELA0.82
ANLANILINEA2OV40.76
ANLANILINEA1AEE0.76
ANLANILINEA1PPA0.76
ANLANILINEA1HJ90.76
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.72
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.82
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.75
5AN3,5-DIFLUOROANILINEA1LGX0.71
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.79
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.79
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.79
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.79
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.71