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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00013744

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.77
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.87
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.8
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.8
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.77
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.77
MFG(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-
1-IMINE
A,B2VZ20.74
SKA7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINEA,B1YZ30.74
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.74
GB5(2E)-3-(4-CHLOROPHENYL)-N-HYDROXYACRYLAMIDEA,B2ILP0.71
BZZBENZYLHYDRAZINEA,B2E2V0.7
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.75
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.75
PCSPHENYLALANYLMETHYLCHLORIDEB,D1DLK0.74
PCSPHENYLALANYLMETHYLCHLORIDEA1XQX0.74
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.73
PRA3-PHENYLPROPYLAMINEA1TNK0.82
PRA3-PHENYLPROPYLAMINEM1UTL0.82
PBN4-PHENYLBUTYLAMINEA1TNI0.82
PBN4-PHENYLBUTYLAMINEA1UTP0.82
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.76
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.73
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.87
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.83
PEA2-PHENYLETHYLAMINEA1TNJ0.83
PEA2-PHENYLETHYLAMINED,H2HKM0.83
PEA2-PHENYLETHYLAMINEA1UTO0.83
PEA2-PHENYLETHYLAMINEA,B1D6Y0.83
PEA2-PHENYLETHYLAMINEA,B1D6Z0.83
PEA2-PHENYLETHYLAMINEA,B1D6U0.83
PEA2-PHENYLETHYLAMINEA1UTM0.83
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.74
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.74
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.74
LY18,9-DICHLORO-2,3,4,5-TETRAHYDRO-
1H-BENZO[C]AZEPINE
A,B1N7I0.77
FCL3-CHLORO-L-PHENYLALANINEE,F1OKW0.71
2004-CHLORO-L-PHENYLALANINEA,B2AKW0.71
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.77
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.72
PHK(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-
BUTAN-2-OL
A1MU00.71
PHK(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-
BUTAN-2-OL
A1XRL0.71
271N-methyl-1-phenylmethanamineX2RBT0.72
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.8
FBA4-FLUOROBENZYLAMINEA1TNH0.8
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.75
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.87
ABNBENZYLAMINED,H2HXC0.77
ABNBENZYLAMINEA,I1A860.77
ABNBENZYLAMINEA1UTN0.77
ABNBENZYLAMINEA1N6X0.77
ABNBENZYLAMINEA2BZA0.77
ABNBENZYLAMINEA2EUS0.77
ABNBENZYLAMINEA1N6Y0.77
ABNBENZYLAMINEA1UTJ0.77
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.8
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.8
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.8
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.8
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.73
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.73
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.73
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.73
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.75
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.8
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.8
B2FPHENYLALANINE BORONIC ACIDA,P1P060.8
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.8
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.8