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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00052492

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SKA7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINEA,B1YZ30.73
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.78
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.78
BZZBENZYLHYDRAZINEA,B2E2V0.75
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.72
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.86
FBA4-FLUOROBENZYLAMINEA1TNH0.86
2631-(azidomethyl)-3-methylbenzeneX2RB20.73
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.7
ABNBENZYLAMINED,H2HXC0.82
ABNBENZYLAMINEA,I1A860.82
ABNBENZYLAMINEA1UTN0.82
ABNBENZYLAMINEA1N6X0.82
ABNBENZYLAMINEA2BZA0.82
ABNBENZYLAMINEA2EUS0.82
ABNBENZYLAMINEA1N6Y0.82
ABNBENZYLAMINEA1UTJ0.82
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.75
PEA2-PHENYLETHYLAMINEA1TNJ0.75
PEA2-PHENYLETHYLAMINED,H2HKM0.75
PEA2-PHENYLETHYLAMINEA1UTO0.75
PEA2-PHENYLETHYLAMINEA,B1D6Y0.75
PEA2-PHENYLETHYLAMINEA,B1D6Z0.75
PEA2-PHENYLETHYLAMINEA,B1D6U0.75
PEA2-PHENYLETHYLAMINEA1UTM0.75
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.74
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.7
LY18,9-DICHLORO-2,3,4,5-TETRAHYDRO-
1H-BENZO[C]AZEPINE
A,B1N7I0.76
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.78
BNFN-BENZYLFORMAMIDEA,B1U3U0.7
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.73
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.73
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.73
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.73
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.73
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.73
B2FPHENYLALANINE BORONIC ACIDA,P1P060.73
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.73
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.73
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.82
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.73
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.73
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.7
271N-methyl-1-phenylmethanamineX2RBT0.75
GB5(2E)-3-(4-CHLOROPHENYL)-N-HYDROXYACRYLAMIDEA,B2ILP0.7
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.72
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.73
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.7
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.92
PRA3-PHENYLPROPYLAMINEA1TNK0.74
PRA3-PHENYLPROPYLAMINEM1UTL0.74
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.95
PBN4-PHENYLBUTYLAMINEA1TNI0.74
PBN4-PHENYLBUTYLAMINEA1UTP0.74