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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03057478

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CLBD-PARA-CHLOROPHENYL-1-ACETAMIDOBORONIC ACID ALANINEA1VSB0.71
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.76
21UD-leucyl-N-(3-chlorobenzyl)-L-prolinamideH,I2ZGB0.78
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A2STD0.77
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A,B,C7STD0.77
CBTN,N-BIS(4-CHLOROBENZYL)-1H-1,2,3,4-
TETRAAZOL-5-AMINE
A1PZO0.7
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
LY18,9-DICHLORO-2,3,4,5-TETRAHYDRO-
1H-BENZO[C]AZEPINE
A,B1N7I0.79
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.74
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.75
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.75
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.75
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.75
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.7
N2T(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-
2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-
1H-PYRROLE-1-CARBOXAMIDE
A,B2FKY0.72
QN3N,N'-(3S,4S)-pyrrolidine-3,4-diylbis(N-
benzyl-2-chlorobenzenesulfonamide)
A,B2QNQ0.71
23Ubeta-phenyl-D-phenylalanyl-N-(3-
chlorobenzyl)-L-prolinamide
H,I3DHK0.73
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.79
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.71
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.75
SRE(1S,4S)-4-(3,4-dichlorophenyl)-
N-methyl-1,2,3,4-tetrahydronaphthalen-
1-amine
A3GWU0.79
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.71
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.71
271N-methyl-1-phenylmethanamineX2RBT0.76
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.75
64U3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-
L-prolinamide
H,I3DUX0.76
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.73
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.73
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.73
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.73
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.73
1761-(2-AMINO-3,3-DIPHENYL-PROPIONYL)-
PYRROLIDINE-3-CARBOXYLIC ACID 2,5-
DICHLORO-BENZYLAMIDE
A,B1TA20.71
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.72
4MDN-(4-chlorobenzyl)-N-methylbenzene-
1,4-disulfonamide
A,B3DA20.71
DPKDEPRENYLA,B2BYB0.75
P214-chloro-N-(3-methoxypropyl)-N-
[(3S)-1-(2-phenylethyl)piperidin-
3-yl]benzamide
A2VD40.73
19U1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZFP0.78
SKA7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINEA,B1YZ30.82
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.71
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.71
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.77
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.76
22UD-phenylalanyl-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZC90.76
HIN(2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-
CHLOROETHYLKETONE
B2GMT0.7
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.73
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.73
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.73
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.71
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.71
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.71
16UN-(3-chlorobenzyl)-1-(4-methylpentanoyl)-
L-prolinamide
H,I3DT00.78
F1K(2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-
2-carboxamide
A,B,C2ZJK0.71
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2Q6H0.72
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2QEI0.72
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.73
F1J(2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-
2-carboxamide
A2ZJJ0.71
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.76
CLDD-PARA-CHLOROPHENYL-1-ACTEAMIDOBORONIC ACID ALANINEA1AVT0.71
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.72
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.72