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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01252620

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
744(3S)-N-(5-CHLORO-2-METHYLPHENYL)-
1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-
CARBOXAMIDE
A2H7N0.75
12UN-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
A2ZHD0.72
12UN-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZHW0.72
12UN-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
A2ZFS0.72
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.72
419N-[(3aR,6S,6aS)-1-(N-methyl-L-alanyl-
3-methyl-L-valyl)octahydrocyclopenta[b]pyrrol-
6-yl]-2,2-diphenylacetamide
A,B3F7H0.7
32UD-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}-
L-prolinamide
H,I2ZDA0.72
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1HFC0.72
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1MNC0.72
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.78
0G6D-phenylalanyl-N-[(1S)-4-{[amino(iminio)methyl]amino}-
1-(chloroacetyl)butyl]-L-prolinamide
B,H,L3DD20.71
0G6D-phenylalanyl-N-[(1S)-4-{[amino(iminio)methyl]amino}-
1-(chloroacetyl)butyl]-L-prolinamide
B,D,F,H1XMN0.71
X23(3S,6S,7R,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-
7-(aminomethyl)-N-(diphenylmethyl)-
5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-
3-carboxamide
A,B,C,D,E,F,
G,H,I,J
3CM20.73
MINMETHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINEH,I1TOM0.75
19U1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZFP0.88
22UD-phenylalanyl-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZC90.86
DI2AC-(D)PHE-PRO-BOROLYS-OHH1LHD0.72
49U(S)-N-(4-carbamimidoylbenzyl)-1-
(3-cyclopentylpropanoyl)pyrrolidine-
2-carboxamide
A2ZDN0.72
49U(S)-N-(4-carbamimidoylbenzyl)-1-
(3-cyclopentylpropanoyl)pyrrolidine-
2-carboxamide
H,I2ZHF0.72
31UD-leucyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZNK0.74
23Ubeta-phenyl-D-phenylalanyl-N-(3-
chlorobenzyl)-L-prolinamide
H,I3DHK0.85
21UD-leucyl-N-(3-chlorobenzyl)-L-prolinamideH,I2ZGB0.89
DI5AC-(D)PHE-PRO-BOROHOMOORNITHINE-
OH
H1LHG0.73
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide
H,I2ZF00.76
DI4AC-(D)PHE-PRO-BOROHOMOLYS-OHH1LHF0.72
64U3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-
L-prolinamide
H,I3DUX0.88
468(3S)-N-(3-CHLORO-2-METHYLPHENYL)-
1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-
CARBOXAMIDE
A2H7P0.75
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide
H,I2ZDV0.76
TTXTENTOXINB1KMH0.71
641(3S)-1-CYCLOHEXYL-N-(3,5-DICHLOROPHENYL)-
5-OXOPYRROLIDINE-3-CARBOXAMIDE
A2H7M0.71
13UN-cyclooctylglycyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZHE0.72
11U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclohexylamino)ethanoyl)pyrrolidine-
2-carboxamide
H,I3BIV0.74
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE
B,C1GGD0.71
FPBN-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-
2-YL}METHYL)BENZAMIDE
A,B2BUB0.71
10U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclopentylamino)ethanoyl)pyrrolidine-
2-carboxamide
A2ZFT0.73
10U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclopentylamino)ethanoyl)pyrrolidine-
2-carboxamide
H,I3BIU0.73
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE
I,J2AJL0.73
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide
B,D3DA90.75
16UN-(3-chlorobenzyl)-1-(4-methylpentanoyl)-
L-prolinamide
H,I3DT00.89
29U1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZGX0.73
33Ubeta-phenyl-D-phenylalanyl-N-(4-
carbamimidoylbenzyl)-L-prolinamide
H,I2ZO30.71
998N-METHYLALANYL-3-METHYLVALYL-N-
(1,2,3,4-TETRAHYDRONAPHTHALEN-1-
YL)PROLINAMIDE
A1TFQ0.76
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A2STD0.76
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A,B,C7STD0.76
BI6(3S,6S,7Z,10AS)-N-(DIPHENYLMETHYL)-
6-{[(2S)-2-(METHYLIDENEAMINO)BUTANOYL]AMINO}-
5-OXO-1,2,3,5,6,9,10,10A-OCTAHYDROPYRROLO[1,2-
A]AZOCINE-3-CARBOXAMIDE
A2JK70.72
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.72
26UN-(4-carbamimidoylbenzyl)-1-(4-
methylpentanoyl)-L-prolinamide
H,I2ZIQ0.74
LAZN-(2-AMINOETHYL)-P-CHLOROBENZAMIDEA,B1OJC0.71
HIN(2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-
CHLOROETHYLKETONE
B2GMT0.73
5FH(5S)-5-benzylimidazolidine-2,4-
dione
A2JLO0.71
1761-(2-AMINO-3,3-DIPHENYL-PROPIONYL)-
PYRROLIDINE-3-CARBOXYLIC ACID 2,5-
DICHLORO-BENZYLAMIDE
A,B1TA20.83
27UN-(4-carbamimidoylbenzyl)-1-(3-
phenylpropanoyl)-L-prolinamide
H,I2ZHQ0.72
50U(S)-N-(4-carbamimidoylbenzyl)-1-
(3-cyclohexylpropanoyl)pyrrolidine-
2-carboxamide
A2ZDK0.73
50U(S)-N-(4-carbamimidoylbenzyl)-1-
(3-cyclohexylpropanoyl)pyrrolidine-
2-carboxamide
H,I2ZG00.73
24U1-butanoyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZI20.73
SMK(3S,6S,7R,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-
7-(2-aminoethyl)-N-(diphenylmethyl)-
5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-
3-carboxamide
A,B3EYL0.73
N4T(1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5-
DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO-
1H-PYRROL-1-YL]-2-OXOETHANAMINE
A,B2FL20.72