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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01533109

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1761-(2-AMINO-3,3-DIPHENYL-PROPIONYL)-
PYRROLIDINE-3-CARBOXYLIC ACID 2,5-
DICHLORO-BENZYLAMIDE
A,B1TA20.7
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.72
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.72
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.72
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.72
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.72
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.72
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.72
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.72
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.72
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.72
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.72
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.75
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.75
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.75
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.7
21UD-leucyl-N-(3-chlorobenzyl)-L-prolinamideH,I2ZGB0.77
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.72
FBA4-FLUOROBENZYLAMINEA1TNH0.72
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.74
22UD-phenylalanyl-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZC90.74
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.71
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.71
F1K(2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-
2-carboxamide
A,B,C2ZJK0.7
BNFN-BENZYLFORMAMIDEA,B1U3U0.7
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.74
F1J(2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-
2-carboxamide
A2ZJJ0.7
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A2STD0.75
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A,B,C7STD0.75
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.72
N2T(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-
2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-
1H-PYRROLE-1-CARBOXAMIDE
A,B2FKY0.71
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.78
64U3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-
L-prolinamide
H,I3DUX0.74
19U1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZFP0.77
23Ubeta-phenyl-D-phenylalanyl-N-(3-
chlorobenzyl)-L-prolinamide
H,I3DHK0.71
DPKDEPRENYLA,B2BYB0.74
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.76
LY18,9-DICHLORO-2,3,4,5-TETRAHYDRO-
1H-BENZO[C]AZEPINE
A,B1N7I0.78
SRE(1S,4S)-4-(3,4-dichlorophenyl)-
N-methyl-1,2,3,4-tetrahydronaphthalen-
1-amine
A3GWU0.77
271N-methyl-1-phenylmethanamineX2RBT0.77
SKA7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINEA,B1YZ30.76
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.72
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.72
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.78
16UN-(3-chlorobenzyl)-1-(4-methylpentanoyl)-
L-prolinamide
H,I3DT00.77
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.74
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.72
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.72