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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00000119

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ISOPARA-ISOPROPYLANILINEA1BMA0.85
ISOPARA-ISOPROPYLANILINEA,B1ELC0.85
ISOPARA-ISOPROPYLANILINEA,B1ELB0.85
ISOPARA-ISOPROPYLANILINEA,B1ELA0.85
9AP9-AMINOPHENANTHRENEA1EGY0.77
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.7
ANCANTHRACEN-1-YLAMINEA,B1GT10.78
ANCANTHRACEN-1-YLAMINEA,B1HN20.78
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.72
PNZP-NITRO-BENZYLAMINEA,B2C700.72
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.82
34A3,4-DIMETHYLANILINEA1L4K0.89
3NT3-NITROTOLUENEA,B2BMR0.72
3NT3-NITROTOLUENEA,B2HMO0.72
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.86
ANLANILINEA2OV40.74
ANLANILINEA1AEE0.74
ANLANILINEA1PPA0.74
ANLANILINEA1HJ90.74
PHZ1-PHENYLHYDRAZINEA2E2T0.84
PHZ1-PHENYLHYDRAZINED,H2AGL0.84
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.71
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.77
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.77
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.77
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.77
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.73
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.73
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.7
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.78
PRY2-PROPYL-ANILINEA1OWY0.88
PBZP-AMINO BENZAMIDINEA,B2BDG0.76
PBZP-AMINO BENZAMIDINEA1RFN0.76
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.76
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.76
PBZP-AMINO BENZAMIDINEA1FIZ0.76
PBZP-AMINO BENZAMIDINEA1FIW0.76
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.76
BRNBERENILA,B268D0.78
BRNBERENILA,B1D630.78
BRNBERENILA,D,E2GBY0.78
BRNBERENILA2DBE0.78
BRNBERENILA2GVR0.78
1AN2-FLUOROANILINEA1LGW0.71
3AB3-aminobenzamideA,B,C,D3GOY0.71
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.73
BZZBENZYLHYDRAZINEA,B2E2V0.76
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.87
XYD2,5-DIMETHYLANILINEA1L4L0.87
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.82
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.74
APZ4-AMINOPHTHALHYDRAZIDEA1ENU0.71
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.71
IDMINDOLINEA,B3CEP0.72
IDMINDOLINEA1AEK0.72