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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00020303

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.78
TNL2,4,6-TRINITROTOLUENEA1GVR0.71
34A3,4-DIMETHYLANILINEA1L4K0.84
NBENITROSOBENZENEA1LH70.71
NBENITROSOBENZENEA2LH70.71
NBENITROSOBENZENEA2NSS0.71
ANCANTHRACEN-1-YLAMINEA,B1GT10.78
ANCANTHRACEN-1-YLAMINEA,B1HN20.78
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.7
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.7
PBZP-AMINO BENZAMIDINEA,B2BDG0.78
PBZP-AMINO BENZAMIDINEA1RFN0.78
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.78
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.78
PBZP-AMINO BENZAMIDINEA1FIZ0.78
PBZP-AMINO BENZAMIDINEA1FIW0.78
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.78
3NT3-NITROTOLUENEA,B2BMR0.73
3NT3-NITROTOLUENEA,B2HMO0.73
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.77
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.7
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.72
FBA4-FLUOROBENZYLAMINEA1TNH0.72
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.72
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.74
2631-(azidomethyl)-3-methylbenzeneX2RB20.7
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.8
ISOPARA-ISOPROPYLANILINEA1BMA0.86
ISOPARA-ISOPROPYLANILINEA,B1ELC0.86
ISOPARA-ISOPROPYLANILINEA,B1ELB0.86
ISOPARA-ISOPROPYLANILINEA,B1ELA0.86
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.8
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.86
XYD2,5-DIMETHYLANILINEA1L4L0.86
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.74
PNZP-NITRO-BENZYLAMINEA,B2C700.74
ABNBENZYLAMINED,H2HXC0.71
ABNBENZYLAMINEA,I1A860.71
ABNBENZYLAMINEA1UTN0.71
ABNBENZYLAMINEA1N6X0.71
ABNBENZYLAMINEA2BZA0.71
ABNBENZYLAMINEA2EUS0.71
ABNBENZYLAMINEA1N6Y0.71
ABNBENZYLAMINEA1UTJ0.71
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.76
G1L3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDEA,B2I800.73
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.88
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.74
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.74
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.7
ANLANILINEA2OV40.79
ANLANILINEA1AEE0.79
ANLANILINEA1PPA0.79
ANLANILINEA1HJ90.79
BRNBERENILA,B268D0.72
BRNBERENILA,B1D630.72
BRNBERENILA,D,E2GBY0.72
BRNBERENILA2DBE0.72
BRNBERENILA2GVR0.72
IDMINDOLINEA,B3CEP0.73
IDMINDOLINEA1AEK0.73
9AP9-AMINOPHENANTHRENEA1EGY0.79
PRY2-PROPYL-ANILINEA1OWY0.87
PHZ1-PHENYLHYDRAZINEA2E2T0.71
PHZ1-PHENYLHYDRAZINED,H2AGL0.71
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.76
1AN2-FLUOROANILINEA1LGW0.81
5AN3,5-DIFLUOROANILINEA1LGX0.81
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.82
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.79
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.94
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.94
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.94
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.94
SOAISATOIC ANHYDRIDEA1BIO0.7