Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03076380
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 |
7NH | [2'-HYDROXY-3'-(1H-PYRROLO[3,2- C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]- UREA | H | 2FLR | 0.7 | |
EHD | 4-ETHYL-4-HYDROXY-1,12-DIHYDRO- 4H-2-OXA-6,12A-DIAZA-DIBENZO[B,H]FLUORENE- 3,13-DIONE | A,C,D | 1T8I | 0.84 | |
4LG | METHYL (6-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)- 6-OXOPIPERAZIN-2-YL]METHOXY}-1H- INDOL-1-YL)ACETATE | A,B | 2G27 | 0.72 | |
8IN | [3-(1-BENZYL-3-CARBAMOYLMETHYL- 2-METHYL-1H-INDOL-5-YLOXY)-PROPYL- ]-PHOSPHONIC ACID | A | 1DB4 | 0.71 | |
IMS | 2-[1-(4-CHLOROBENZOYL)-5-METHOXY- 2-METHYL-1H-INDOL-3-YL]-N-[(1S)- 1-(HYDROXYMETHYL)PROPYL]ACETAMIDE | P | 2OYU | 0.71 | |
UN9 | N-[(1-CHLORO-4-HYDROXYISOQUINOLIN- 3-YL)CARBONYL]GLYCINE | A | 2HBT | 0.71 | |
UN9 | N-[(1-CHLORO-4-HYDROXYISOQUINOLIN- 3-YL)CARBONYL]GLYCINE | A | 2HBU | 0.71 | |
IM8 | 2-[1-(4-CHLOROBENZOYL)-5-METHOXY- 2-METHYL-1H-INDOL-3-YL]-N-[(1R)- 1-(HYDROXYMETHYL)PROPYL]ACETAMIDE | P | 2OYE | 0.71 | |
HQC | 3-{6-[(8-HYDROXY-QUINOLINE-2-CARBONYL)- AMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}- 4-OXO-BUTYRI ACID | A | 1RWP | 0.7 | |
CP0 | A | 1U65 | 0.86 | ||
VRS | VIRGINIAMYCIN S1 | 0,1,2,3,9,A, B,C,H,J,K,L, M,N,O,Q,R,S, T,U,Y,Z | 1YIT | 0.73 | |
839 | 3-(9-HYDROXY-1,3-DIOXO-4-PHENYL- 2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL- 6(1H)-YL)PROPANOIC ACID | A | 2IN6 | 0.71 | |
I3N | 1-BENZYL-5-METHOXY-2-METHYL-1H- INDOL-3-YL)-ACETIC ACID | A | 1DCY | 0.72 | |
541 | (2R)-N-HYDROXY-2-[(3S)-3-METHYL- 3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}- 2-OXOPYRROLIDIN-1-YL]PROPANAMIDE | A,B | 2FV5 | 0.77 | |
PLT | [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL- PYRIDIN-4-YLMETHYL]-L-TRYPTOPHANE | B | 2TYS | 0.7 | |
826 | 1,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)- 9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY- 2H-PYRIDO[3,4-B]INDOLE | A,B | 1I30 | 0.73 | |
IOK | N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]- 2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE | A,B | 2IOK | 0.72 | |
1ST | (5S,6R,7R,9R)-12-HYDROXY-6-METHOXY- 5-METHYL-7-(METHYLAMINO)-6,7,8,9- TETRAHYDRO-5H,14H-5,9-EPOXY-4B,9A,15- TRIAZADIBENZO[B,H]CYCLONONA[1,2,3,4- JKL]CYCLOPENTA[E]-AS-INDACEN-14- ONE | 1 | 2HY8 | 0.72 | |
587 | C32-O-(1-METHYL-INDOL-5-YL) 18- HYDROXY-ASCOMYCIN | A,C | 1QPL | 0.71 | |
ML2 | N-[2-(2-iodo-5-methoxy-1H-indol- 3-yl)ethyl]acetamide | A,B | 2QX9 | 0.71 | |
ML2 | N-[2-(2-iodo-5-methoxy-1H-indol- 3-yl)ethyl]acetamide | A,B | 2QX8 | 0.71 | |
6IN | 4-(1-BENZYL-3-CARBAMOYLMETHYL-2- METHYL-1H-INDOL-5-YLOXY)-BUTYRIC ACID | A | 1DB5 | 0.74 | |
POO | 3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN- 3-YL)METHYL]AMINO}-2-OXOETHYL)- 2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID | A | 2BRL | 0.73 | |
HRP | 5-HYDROXY-L-TRYPTOPHAN | B | 1YIA | 0.71 | |
3LG | (5-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)- 6-OXOPIPERAZIN-2-YL]METHOXY}-1H- INDOL-1-YL)ACETIC ACID | B | 2G26 | 0.75 | |
TTC | (S)-10-[(DIMETHYLAMINO)METHYL]- 4-ETHYL-4,9-DIHYDROXY-1H-PYRANO[3',4':6,7]INOLIZINO[1,2- B]-QUINOLINE-3,14(4H,12H)-DIONE | A,C | 1RR8 | 0.92 | |
TTC | (S)-10-[(DIMETHYLAMINO)METHYL]- 4-ETHYL-4,9-DIHYDROXY-1H-PYRANO[3',4':6,7]INOLIZINO[1,2- B]-QUINOLINE-3,14(4H,12H)-DIONE | A,B | 1RRJ | 0.92 | |
TTC | (S)-10-[(DIMETHYLAMINO)METHYL]- 4-ETHYL-4,9-DIHYDROXY-1H-PYRANO[3',4':6,7]INOLIZINO[1,2- B]-QUINOLINE-3,14(4H,12H)-DIONE | A,C,D | 1K4T | 0.92 | |
REW | (2S,3S)-1-(4-METHOXYPHENYL)-3-(3- (2-(5-METHYL-2-PHENYLOXAZOL-4-YL)ETHOXY)BENZYL)- 4-OXOAZETIDINE-2-CARBOXYLIC ACID | A | 2REW | 0.7 | |
ASE | N-ACETYL SEROTONIN | A | 1NAS | 0.72 | |
3CS | 3-[3-(3,3-DIMETHYLBUTANOYL)-1-(4- IODOBENZYL)-5-(QUINOLIN-2-YLMETHOXY)- 1H-INDOL-2-YL]-2,2-DIMETHYLPROPANOIC ACID | A,B,C,D,E,F | 2Q7R | 0.73 | |
858 | C32-O-(1-ETHYL-INDOL-5-YL)ASCOMYCIN | A,D | 1QPF | 0.71 | |
330 | 9-HYDROXY-6-(3-HYDROXYPROPYL)-4- (2-METHOXYPHENYL)PYRROLO[3,4-C]CARBAZOLE- 1,3(2H,6H)-DIONE | A | 2IO6 | 0.7 | |
VLB | (2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)- VINCALEUKOBLASTINE | A,B,C,D | 1Z2B | 0.7 | |
JTP | N-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[1,2- D][1,4]BENZOXAZEPIN-10-YL)CARBONYL]- 2-METHYL-L-ALANINE | A,B | 2DXS | 0.76 | |
642 | (1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin- 4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane- 1-carboxylic acid | A,B | 3EWJ | 0.73 | |
CMF | 3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL- 2-OXOETHYL)-2-PHENYL-1H-INDOLE- 6-CARBOXYLIC ACID | A | 2BRK | 0.75 | |
DSI | 4-HYDROXY-6-(1H-INDOLE-2-CARBONYL)- 8-METHYL-3,6,7,8-TETRAHYDRO-3,6- DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER | B | 1DSI | 0.72 | |
CIA | 6-BENZO[1,3]DIOXOL-5-YL-2-METHYL- 2,3,6,7,12,12A-HEXAHYDRO-PYRAZINO[1',2':1,6]PYRIDO[3,4- B]INDOLE-1,4-DIONE | A,B | 1UDU | 0.72 | |
CIA | 6-BENZO[1,3]DIOXOL-5-YL-2-METHYL- 2,3,6,7,12,12A-HEXAHYDRO-PYRAZINO[1',2':1,6]PYRIDO[3,4- B]INDOLE-1,4-DIONE | A | 1XOZ | 0.72 | |
550 | methyl (1R,2S)-2-(hydroxycarbamoyl)- 1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate | A,B | 3EDZ | 0.7 | |
IOG | N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]- 2-[2-PHENYL-6-(2-PIPERIDIN-1-YLETHOXY)- 1H-INDOL-3-YL]ACETAMIDE | A | 2IOG | 0.73 | |
ML1 | N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide | A,B | 2QX4 | 0.7 | |
ML1 | N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide | A,B | 2QX6 | 0.7 | |
ML1 | N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide | A,B | 2QWX | 0.7 | |
IMM | 1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE- 3-ACETIC ACID | A,B | 1PGF | 0.71 | |
IMM | 1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE- 3-ACETIC ACID | A,B | 1PGG | 0.71 | |
PVE | (1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]- 8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2- A]QUINOLIN-11-IUM | A,B,C | 2W6T | 0.71 | |
PVE | (1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]- 8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2- A]QUINOLIN-11-IUM | A,B,C | 2W16 | 0.71 | |
PVE | (1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]- 8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2- A]QUINOLIN-11-IUM | A,B,C | 2W76 | 0.71 | |
PVE | (1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]- 8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2- A]QUINOLIN-11-IUM | A,B,C | 2W78 | 0.71 | |
PVE | (1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]- 8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2- A]QUINOLIN-11-IUM | A,B,C | 2W6U | 0.71 | |
PVE | (1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]- 8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2- A]QUINOLIN-11-IUM | A,B,C | 2W77 | 0.71 | |
TTG | 2-(1-DIMETHYLAMINOMETHYL-2-HYDROXY- 8-HYDROXYMETHYL-9-OXO-9,11-DIHYDRO- INDOLIZINO[1,2-B]QUINOLIN-7-YL)- 2-HYDROXY-BUTYRIC ACID | A,B | 1RRJ | 0.88 | |
TTG | 2-(1-DIMETHYLAMINOMETHYL-2-HYDROXY- 8-HYDROXYMETHYL-9-OXO-9,11-DIHYDRO- INDOLIZINO[1,2-B]QUINOLIN-7-YL)- 2-HYDROXY-BUTYRIC ACID | A,C,D | 1K4T | 0.88 | |
TTG | 2-(1-DIMETHYLAMINOMETHYL-2-HYDROXY- 8-HYDROXYMETHYL-9-OXO-9,11-DIHYDRO- INDOLIZINO[1,2-B]QUINOLIN-7-YL)- 2-HYDROXY-BUTYRIC ACID | A,C | 1RR8 | 0.88 | |
IID | N-(1-ISOPROPYLPIPERIDIN-4-YL)-1- (3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE | A,B | 2BQ7 | 0.74 | |
YPA | (S)-3-(4-(2-CARBAZOL-9-YL-ETHOXY)- PHENYL)-2-ETHOXY-PROPIONIC ACID | A | 1KNU | 0.7 |