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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00023607

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
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.72
9AP9-AMINOPHENANTHRENEA1EGY0.72
NBENITROSOBENZENEA1LH70.71
NBENITROSOBENZENEA2LH70.71
NBENITROSOBENZENEA2NSS0.71
PHZ1-PHENYLHYDRAZINEA2E2T0.72
PHZ1-PHENYLHYDRAZINED,H2AGL0.72
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.7
3AB3-aminobenzamideA,B,C,D3GOY0.7
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.77
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.95
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.95
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.95
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.95
I7C4-AMINO-6-(TRIFLUOROMETHYL)BENZENE-
1,3-DISULFONAMIDE
A2POW0.73
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.75
FBA4-FLUOROBENZYLAMINEA1TNH0.75
1AN2-FLUOROANILINEA1LGW0.84
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.74
PNZP-NITRO-BENZYLAMINEA,B2C700.74
5AN3,5-DIFLUOROANILINEA1LGX0.86
ABNBENZYLAMINED,H2HXC0.71
ABNBENZYLAMINEA,I1A860.71
ABNBENZYLAMINEA1UTN0.71
ABNBENZYLAMINEA1N6X0.71
ABNBENZYLAMINEA2BZA0.71
ABNBENZYLAMINEA2EUS0.71
ABNBENZYLAMINEA1N6Y0.71
ABNBENZYLAMINEA1UTJ0.71
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.76
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.78
PBZP-AMINO BENZAMIDINEA,B2BDG0.79
PBZP-AMINO BENZAMIDINEA1RFN0.79
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.79
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.79
PBZP-AMINO BENZAMIDINEA1FIZ0.79
PBZP-AMINO BENZAMIDINEA1FIW0.79
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.79
34A3,4-DIMETHYLANILINEA1L4K0.83
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.76
ANCANTHRACEN-1-YLAMINEA,B1GT10.71
ANCANTHRACEN-1-YLAMINEA,B1HN20.71
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.8
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.82
XYD2,5-DIMETHYLANILINEA1L4L0.82
G1L3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDEA,B2I800.71
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.76
BRNBERENILA,B268D0.7
BRNBERENILA,B1D630.7
BRNBERENILA,D,E2GBY0.7
BRNBERENILA2DBE0.7
BRNBERENILA2GVR0.7
TNL2,4,6-TRINITROTOLUENEA1GVR0.72
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.89
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.77
ISOPARA-ISOPROPYLANILINEA1BMA0.83
ISOPARA-ISOPROPYLANILINEA,B1ELC0.83
ISOPARA-ISOPROPYLANILINEA,B1ELB0.83
ISOPARA-ISOPROPYLANILINEA,B1ELA0.83
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.82
PRY2-PROPYL-ANILINEA1OWY0.83
ANLANILINEA2OV40.8
ANLANILINEA1AEE0.8
ANLANILINEA1PPA0.8
ANLANILINEA1HJ90.8