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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00252123

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
19U1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZFP0.79
16UN-(3-chlorobenzyl)-1-(4-methylpentanoyl)-
L-prolinamide
H,I3DT00.8
GSK6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-
2-(4-MORPHOLINYL)-2-OXO ETHYL]-
2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE
A2CJI0.73
HIN(2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-
CHLOROETHYLKETONE
B2GMT0.71
R15N,N'-(heptane-1,7-diyldicarbamoyl)bis(3-
chlorobenzenesulfonamide)
A,D2JJK0.73
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
8952-(5-CHLORO-2-THIENYL)-N-{(3S)-
1-[(1S)-1-METHYL-2-MORPHOLIN-4-
YL-2-OXOETHYL]-2-OXOPYRROLIDIN-
3-YL}ETHENESULFONAMIDE
D,H2JH50.7
8952-(5-CHLORO-2-THIENYL)-N-{(3S)-
1-[(1S)-1-METHYL-2-MORPHOLIN-4-
YL-2-OXOETHYL]-2-OXOPYRROLIDIN-
3-YL}ETHENESULFONAMIDE
A2UWL0.7
IZDISOTHIAZOLIDINONE ANALOGA2CM70.74
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide
B,D3DA90.71
MIUN-{(1S)-1-{[4-(3-AMINOPROPYL)PIPERAZIN-
1-YL]CARBONYL}-4-[(DIAMINOMETHYLENE)AMINO]BUTYL}-
3-(TRIFLUOROMETHYL)BENZENESULFONAMIDE
H1W7G0.71
64U3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-
L-prolinamide
H,I3DUX0.76
22UD-phenylalanyl-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZC90.75
701(2R)-2-(5-CHLORO-2-THIENYL)-N-{(3S)-
1-[(1S)-1-METHYL-2-MORPHOLIN-4-
YL-2-OXOETHYL]-2-OXOPYRROLIDIN-
3-YL}PROPENE-1-SULFONAMIDE
D,H2JH00.71
701(2R)-2-(5-CHLORO-2-THIENYL)-N-{(3S)-
1-[(1S)-1-METHYL-2-MORPHOLIN-4-
YL-2-OXOETHYL]-2-OXOPYRROLIDIN-
3-YL}PROPENE-1-SULFONAMIDE
A2UWO0.71
1761-(2-AMINO-3,3-DIPHENYL-PROPIONYL)-
PYRROLIDINE-3-CARBOXYLIC ACID 2,5-
DICHLORO-BENZYLAMIDE
A,B1TA20.71
DI5AC-(D)PHE-PRO-BOROHOMOORNITHINE-
OH
H1LHG0.71
8942-(5-CHLORO-2-THIENYL)-N-{(3S)-
1-[(1S)-1-METHYL-2-MORPHOLIN-4-
YL-2-OXOETHYL]-2-OXOPYRROLIDIN-
3-YL}ETHANESULFONAMIDE
A2UWP0.72
8942-(5-CHLORO-2-THIENYL)-N-{(3S)-
1-[(1S)-1-METHYL-2-MORPHOLIN-4-
YL-2-OXOETHYL]-2-OXOPYRROLIDIN-
3-YL}ETHANESULFONAMIDE
D,H2JH60.72
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.72
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.72
NFTN-(2-AMINOETHYL)-N~2~-{(1S)-1-[4'-
(AMINOSULFONYL)BIPHENYL-4-YL]-2,2,2-
TRIFLUOROETHYL}-L-LEUCINAMIDE
A1VSN0.73
GSJ1-PYRROLIDINEACETAMIDE, 3-[[(6-
CHLORO-2-NAPHTHALENYL)SULFONYL]AMINO]-
ALPHA-METHYL-N-(1-METHYLETHYL)-
N-[2-[(METHYLSULFONYL)AMINO]ETHYL]-
2-OXO-, (ALPHAS,3S)-
A2J4I0.77
RA8N-(BENZYLSULFONYL)-L-LEUCYL-N-(4-
{[AMINO(IMINO)METHYL]AMINO}BUTYL)-
L-PROLINAMIDE
H,I1YPL0.75
3CCN-[(2R)-5-(aminosulfonyl)-2,3-dihydro-
1H-inden-2-yl]-2-propylpentanamide
A2QO80.75
21UD-leucyl-N-(3-chlorobenzyl)-L-prolinamideH,I2ZGB0.8
DI4AC-(D)PHE-PRO-BOROHOMOLYS-OHH1LHF0.71
TP2N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOLA,B1F4D0.82
TP2N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOLA,B1F4C0.82
TCKN-[(1S)-5-amino-1-(chloroacetyl)pentyl]-
4-methylbenzenesulfonamide
A1ARC0.72
MINMETHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINEH,I1TOM0.71
DI2AC-(D)PHE-PRO-BOROLYS-OHH1LHD0.71