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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00022998

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3AB3-aminobenzamideA,B,C,D3GOY0.72
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.89
XYD2,5-DIMETHYLANILINEA1L4L0.89
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.78
ANCANTHRACEN-1-YLAMINEA,B1GT10.78
ANCANTHRACEN-1-YLAMINEA,B1HN20.78
PHZ1-PHENYLHYDRAZINEA2E2T0.72
PHZ1-PHENYLHYDRAZINED,H2AGL0.72
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
2631-(azidomethyl)-3-methylbenzeneX2RB20.73
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.73
ANLANILINEA2OV40.78
ANLANILINEA1AEE0.78
ANLANILINEA1PPA0.78
ANLANILINEA1HJ90.78
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.7
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.7
BRNBERENILA,B268D0.71
BRNBERENILA,B1D630.71
BRNBERENILA,D,E2GBY0.71
BRNBERENILA2DBE0.71
BRNBERENILA2GVR0.71
221(2R,3R)-3-{[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO}-
2-CYANO-3-THIOXOPROPANAMIDE
A,B2IJN0.7
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.84
9AP9-AMINOPHENANTHRENEA1EGY0.78
1MRN-METHYLANILINEX2OTZ0.72
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.74
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.71
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.71
I7C4-AMINO-6-(TRIFLUOROMETHYL)BENZENE-
1,3-DISULFONAMIDE
A2POW0.73
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.8
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.73
FBA4-FLUOROBENZYLAMINEA1TNH0.73
G1L3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDEA,B2I800.74
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.76
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.85
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.74
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.74
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.73
PNZP-NITRO-BENZYLAMINEA,B2C700.73
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.9
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.9
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.9
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.9
TNL2,4,6-TRINITROTOLUENEA1GVR0.7
NBENITROSOBENZENEA1LH70.7
NBENITROSOBENZENEA2LH70.7
NBENITROSOBENZENEA2NSS0.7
PRY2-PROPYL-ANILINEA1OWY0.88
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.71
5AN3,5-DIFLUOROANILINEA1LGX0.82
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.76
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.79
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.71
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.89
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.77
ISOPARA-ISOPROPYLANILINEA1BMA0.87
ISOPARA-ISOPROPYLANILINEA,B1ELC0.87
ISOPARA-ISOPROPYLANILINEA,B1ELB0.87
ISOPARA-ISOPROPYLANILINEA,B1ELA0.87
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.73
NYLN-ALLYL-ANILINEA1OVK0.7
ABNBENZYLAMINED,H2HXC0.72
ABNBENZYLAMINEA,I1A860.72
ABNBENZYLAMINEA1UTN0.72
ABNBENZYLAMINEA1N6X0.72
ABNBENZYLAMINEA2BZA0.72
ABNBENZYLAMINEA2EUS0.72
ABNBENZYLAMINEA1N6Y0.72
ABNBENZYLAMINEA1UTJ0.72
271N-methyl-1-phenylmethanamineX2RBT0.7
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.7
34A3,4-DIMETHYLANILINEA1L4K0.87
3NT3-NITROTOLUENEA,B2BMR0.76
3NT3-NITROTOLUENEA,B2HMO0.76
IDMINDOLINEA,B3CEP0.72
IDMINDOLINEA1AEK0.72
1AN2-FLUOROANILINEA1LGW0.8