Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02301521
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
---|---|---|---|---|---|
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
Y15 | N-[(1S)-2-{[(1R)-2-(benzyloxy)- 1-cyano-1-methylethyl]amino}-1- (cyclohexylmethyl)-2-oxoethyl]morpholine- 4-carboxamide | A,B | 2R9O | 0.73 | |
T10 | [1-(1-BENZYL-3-HYDROXY-2-OXO-PROPYLCARBAMOYL)- 2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER | A | 1ME4 | 0.71 | |
SB3 | 1,3-DIPHENYL-1-PROPYL-1-(3,3-DIMETHYL- 1,2-DIOXYPENTYL)-2-PIPERIDINE CARBOXYLATE | A | 1FKG | 0.75 | |
HTQ | HOMOTROPINE | A,B,C | 2DQZ | 0.71 | |
HTQ | HOMOTROPINE | A,B,C,D,E,F | 1MX5 | 0.71 | |
568 | N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI- [1-AMINO-INDAN-2-OL] | B | 1WBK | 0.71 | |
0E3 | N-acetyl-L-valyl-O-benzyl-L-threonyl- N-[(1R)-2-oxo-1-{[(3S)-2-oxopyrrolidin- 3-yl]methyl}propyl]-L-leucinamide | A | 2Z3C | 0.7 | |
BEH | 2,5-DIBENZYLOXY-3,4-DIHYDROXY-HEXANEDIOIC ACID BENZYLAMIDE (2- HYDROXY-INDAN-1-YL)-AMIDE | B | 1D4H | 0.71 | |
77B | BENZYL N-({(2S,3S)-3-[(BENZYLAMINO)CARBONYL]OXIRAN- 2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE | A | 2DCC | 0.76 | |
ZPR | N-BENZYLOXYCARBONYL-L-PROLYL-L- PROLINAL | A | 1QFS | 0.72 | |
ZPR | N-BENZYLOXYCARBONYL-L-PROLYL-L- PROLINAL | A | 1H2Y | 0.72 | |
ZU5 | N-[(benzyloxy)carbonyl]-O-tert- butyl-L-threonyl-N-[(1R)-4-cyclopropyl- 4-oxo-1-{[(3S)-2-oxopyrrolidin- 3-yl]methyl}butyl]-L-leucinamide | A | 2ZU5 | 0.71 | |
ZFB | (3R)-3-{[(BENZYLOXY)CARBONYL]AMINO}- 2-OXO-4-PHENYLBUTANE-1-DIAZONIUM | A,B,C,D | 1PVJ | 0.74 | |
186 | [1-(1-METHYL-4,5-DIOXO-PENT-2-ENYLCARBAMOYL)- 2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER | X | 1U9Q | 0.72 | |
46U | (S)-N-(4-carbamimidoylbenzyl)-1- (2-(cyclohexyloxy)ethanoyl)pyrrolidine- 2-carboxamide | H,I | 2ZFR | 0.71 | |
46U | (S)-N-(4-carbamimidoylbenzyl)-1- (2-(cyclohexyloxy)ethanoyl)pyrrolidine- 2-carboxamide | A | 2ZDM | 0.71 | |
NOL | N-[(BENZYLOXY)CARBONYL]-O-(TERT- BUTYL)-L-THREONYL-3-CYCLOHEXYL- N-[(1S)-2-HYDROXY-1-{[(3S)-2-OXOPYRROLIDIN- 3-YL]METHYL}ETHYL]-L-ALANINAMIDE | A | 2GX4 | 0.71 | |
2PM | N-[2-(BENZHYDRYLOXY)ETHYL]-N,N- DIMETHYLAMINE | A,B | 2AOT | 0.72 | |
PCM | 1-[N[(PHENYLMETHOXY)CARBONYL]-L- LEUCYL-4-[[N/N-[(PHENYLMETHOXY)CARBONYL]- /NL-LEUCYL]AMINO]-3-PYRROLIDINONE/N | A | 1AU3 | 0.71 | |
578 | (5R,6S,8S)-8-[3-(AMINOMETHYL)PHENYL]- 6-HYDROXY-5-ISOPROPYL-3-OXO-1-PHENYL- 2,7-DIOXA-4-AZA-6-PHOSPHANONAN- 9-OIC ACID 6-OXIDE | A,B,C | 2PJ1 | 0.71 | |
1BH | N-BENZYLOXYCARBONYL-ALA-PRO-3-AMINO- 4-PHENYL-BUTAN-2-OL | A | 1BH6 | 0.75 | |
177 | 1-[2-AMINO-2-CYCLOHEXYL-ACETYL]- PYRROLIDINE-3-CARBOXYLIC ACID 5- CHLORO-2-(2-ETHYLCARBAMOYL-ETHOXY)- BENZYLAMIDE | A,B | 1TA6 | 0.7 | |
KI2 | 3-BENZYLOXYCARBONYLAMINO-2-HYDROXY- 4-PHENYL-BUTYRIC ACID | A,B,I,J | 1NH0 | 0.73 | |
KI2 | 3-BENZYLOXYCARBONYLAMINO-2-HYDROXY- 4-PHENYL-BUTYRIC ACID | I | 1U8G | 0.73 | |
73V | BENZYL N-({(2S,3S)-3-[(PROPYLAMINO)CARBONYL]OXIRAN- 2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE | A | 2DC6 | 0.71 | |
CP8 | A | 1UTT | 0.7 | ||
BLN | MORPHOLINE-4-CARBOXYLIC ACID [1S- (2-BENZYLOXY-1R-CYANO-ETHYLCARBAMOYL)- 3-METHYL-BUTYL]AMIDE | A | 1MS6 | 0.72 | |
FDN | (5S)-3-ANILINO-5-(2,4-DIFLUOROPHENYL)- 5-METHYL-1,3-OXAZOLIDINE-2,4-DIONE | C,D,E | 2FYU | 0.7 | |
NBL | N2-[(BENZYLOXY)CARBONYL]-N1-[(3S)- 1-CYANOPYRROLIDIN-3-YL]-L-LEUCINAMIDE | A | 1YK7 | 0.71 | |
CS7 | N'-[(1S,2R)-2-[(2R,4R)-4-(BENZYLOXY)PYRROLIDIN- 2-YL]-1-(3,5-DIFLUOROBENZYL)-2- HYDROXYETHYL]-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE | A,B | 2QMD | 0.73 | |
WR1 | NALPHA-[(BENZYLOXY)CARBONYL]-N- [(1R)-4-HYDROXY-1-METHYL-2-OXOBUTYL]- L-PHENYLALANINAMIDE | A,B | 2OP9 | 0.7 | |
552 | (6S)-1-chloro-3-[(4-fluorobenzyl)oxy]- 6-(pyrrolidin-1-ylcarbonyl)pyrrolo[1,2- a]pyrazin-4(6H)-one | A | 3DDU | 0.7 |