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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01454674

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4UN{4-[2,2-BIS(5-METHYL-1,2,4-OXADIAZOL-
3-YL)-3-PHENYLPROPYL]PHENYL}SULFAMIC ACID
A2H040.7
C3AALLYL {(1S)-1-[(5-{4-[(2,3-DIHYDRO-
1H-INDEN-2-YLAMINO)CARBONYL]BENZYL}-
1,2,4-OXADIAZOL-3-YL)CARBONYL]-
3-PYRROLIDIN-3-YLPROPYL}CARBAMATE
A,B,C,D2FS80.74
C3AALLYL {(1S)-1-[(5-{4-[(2,3-DIHYDRO-
1H-INDEN-2-YLAMINO)CARBONYL]BENZYL}-
1,2,4-OXADIAZOL-3-YL)CARBONYL]-
3-PYRROLIDIN-3-YLPROPYL}CARBAMATE
A,B,C,D2FXR0.74
MIM[CYCLOHEXYLETHYL]-[[[[4-[2-METHYL-
1-IMIDAZOLYL-BUTYL]PHENYL]ACETYL]-
SERYL]-LYSINYL]-AMINE
A2NMT0.7
MIM[CYCLOHEXYLETHYL]-[[[[4-[2-METHYL-
1-IMIDAZOLYL-BUTYL]PHENYL]ACETYL]-
SERYL]-LYSINYL]-AMINE
A,B1IYK0.7
C4AETHYL {(1S)-5-AMINO-1-[(5-{4-[(2,3-
DIHYDRO-1H-INDEN-2-YLAMINO)CARBONYL]BENZYL}-
1,2,4-OXADIAZOL-3-YL)CARBONYL]PENTYL}CARBAMATE
A,B,C,D2FS90.76
S146-(4-{(1S,2S)-2-AMINO-1-[(DIMETHYLAMINO)CARBONYL]-
3-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-
3-OXOPROPYL}PHENYL)-1H-[1,2,4]TRIAZOLO[1,5-
A]PYRIDIN-4-IUM
A,B2FJP0.73
3MN3-({3-[3-(1H-IMIDAZOL-1-YL)PROPYL]-
5-METHYL-5-(1-NAPHTHYL)-2,4-DIOXOIMIDAZOLIDIN-
1-YL}METHYL)BENZONITRILE
B2F0Y0.72
11U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclohexylamino)ethanoyl)pyrrolidine-
2-carboxamide
H,I3BIV0.71
33Ubeta-phenyl-D-phenylalanyl-N-(4-
carbamimidoylbenzyl)-L-prolinamide
H,I2ZO30.73
32UD-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}-
L-prolinamide
H,I2ZDA0.73
27UN-(4-carbamimidoylbenzyl)-1-(3-
phenylpropanoyl)-L-prolinamide
H,I2ZHQ0.73
50U(S)-N-(4-carbamimidoylbenzyl)-1-
(3-cyclohexylpropanoyl)pyrrolidine-
2-carboxamide
A2ZDK0.72
50U(S)-N-(4-carbamimidoylbenzyl)-1-
(3-cyclohexylpropanoyl)pyrrolidine-
2-carboxamide
H,I2ZG00.72
5AMBENZYL {(1S)-5-AMINO-1-[(S)-HYDROXY(5-
{[4-(4-PHENYLBUTANOYL)PIPERAZIN-
1-YL]METHYL}-1,2,4-OXADIAZOL-3-
YL)METHYL]PENTYL}CARBAMATE
A,B,C,D2GDD0.71
3TP(2S,3S)-3-{3-[4-(METHYLSULFONYL)PHENYL]-
1,2,4-OXADIAZOL-5-YL}-1-OXO-1-PYRROLIDIN-
1-YLBUTAN-2-AMINE
A,B2HHA0.74
49U(S)-N-(4-carbamimidoylbenzyl)-1-
(3-cyclopentylpropanoyl)pyrrolidine-
2-carboxamide
A2ZDN0.71
49U(S)-N-(4-carbamimidoylbenzyl)-1-
(3-cyclopentylpropanoyl)pyrrolidine-
2-carboxamide
H,I2ZHF0.71