Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02226598
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 |
GW4 | N-[(2S)-2-[(2-BENZOYLPHENYL)AMINO]- 3-{4-[2-(5-METHYL-2-PHENYL-1,3- OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL]ACETAMIDE | A,B | 2POB | 0.7 | |
5FR | 4-({1-[3-(3-amino-3-oxopropyl)- 5-chlorophenyl]-3-methyl-1H-pyrazolo[4,3- c]pyridin-6-yl}amino)-3-methoxy- N-(1-methylpiperidin-4-yl)benzamide | A | 3DBF | 0.74 | |
6IN | 4-(1-BENZYL-3-CARBAMOYLMETHYL-2- METHYL-1H-INDOL-5-YLOXY)-BUTYRIC ACID | A | 1DB5 | 0.7 | |
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 | 0.71 | |
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 | 0.71 | |
V5X | (2R)-N~8~-HYDROXY-2-{[(5-METHOXY- 2-METHYL-1H-INDOL-3-YL)ACETYL]AMINO}- N~1~-[2-(2-PHENYL-1H-INDOL-3-YL)ETHYL]OCTANEDIAMIDE | A,B | 2V5X | 0.74 | |
IOG | N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]- 2-[2-PHENYL-6-(2-PIPERIDIN-1-YLETHOXY)- 1H-INDOL-3-YL]ACETAMIDE | A | 2IOG | 0.71 | |
IID | N-(1-ISOPROPYLPIPERIDIN-4-YL)-1- (3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE | A,B | 2BQ7 | 0.76 | |
310 | N-carbamimidoyl-2-[2-(2-chlorophenyl)- 5-[4-(4-ethanoylphenoxy)phenyl]pyrrol- 1-yl]ethanamide | A | 2ZDZ | 0.77 | |
396 | 4-(2-chlorophenyl)-9-hydroxy-6- methyl-1,3-dioxo-N-(2-pyrrolidin- 1-ylethyl)pyrrolo[3,4-g]carbazole- 8-carboxamide | A | 3BI6 | 0.72 | |
1CD | (13R,15S)-13-METHYL-16-OXA-8,9,12,22,24- PENTAAZAHEXACYCLO[15.6.2.16,9.1,12,15.0,2,7.0,21,25]HEPTACOSA- 1(24),2,4,6,17(25),18,20-HEPTAENE- 23,26-DIONE | A | 2DS1 | 0.71 | |
BSM | 5-(5-CHLORO-2,4-DIHYDROXYPHENYL)- N-ETHYL-4-(4-METHOXYPHENYL)-1H- PYRAZOLE-3-CARBOXAMIDE | A | 2BSM | 0.79 | |
LG0 | 1-(4-methoxyphenyl)-6-(4-(1-(pyrrolidin- 1-ylmethyl)cyclopropyl)phenyl)- 3-(trifluoromethyl)-5,6-dihydro- 1H-pyrazolo[3,4-c]pyridin-7(4H)- one | A | 3CS7 | 0.79 | |
669 | 1-(5-CARBOXYPENTYL)-5-(2,6-DICHLOROBENZYLOXY)- 1H-INDOLE-2-CARBOXYLIC ACID | A | 1MZS | 0.7 | |
ONO | 2-[2-({[4-(DIAMINOMETHYL)PHENYL]AMINO}CARBONYL)- 6-METHOXYPYRIDIN-3-YL]-5-{[(1-FORMYL- 2,2-DIMETHYLPROPYL)AMINO]CARBONYL}BENZOIC ACID | A | 2AYW | 0.72 | |
ZYE | N-{(1S,2R)-1-BENZYL-2-HYDROXY-3- [(3-METHOXYBENZYL)AMINO]PROPYL}- 1-ETHYL-4-(2-OXO-2,3-DIHYDRO-1H- PYRROL-1-YL)-1H-INDOLE-6-CARBOXAMIDE | A | 2WEZ | 0.72 | |
330 | 9-HYDROXY-6-(3-HYDROXYPROPYL)-4- (2-METHOXYPHENYL)PYRROLO[3,4-C]CARBAZOLE- 1,3(2H,6H)-DIONE | A | 2IO6 | 0.71 | |
VG2 | 4-(2-aminoethoxy)-N-(3-chloro-5- piperidin-1-ylphenyl)-3,5-dimethylbenzamide | A | 2VIV | 0.71 | |
I1H | 3-[2-(2,4-DICHLOROPHENYL)ETHOXY]- 4-METHOXY-N-[(1-PYRIDIN-4-YLPIPERIDIN- 4-YL)METHYL]BENZAMIDE | B | 2BMG | 0.73 | |
IMS | 2-[1-(4-CHLOROBENZOYL)-5-METHOXY- 2-METHYL-1H-INDOL-3-YL]-N-[(1S)- 1-(HYDROXYMETHYL)PROPYL]ACETAMIDE | P | 2OYU | 0.79 | |
BAX | 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}- N-METHYLPYRIDINE-2-CARBOXAMIDE | A,B | 1UWH | 0.71 | |
BAX | 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}- N-METHYLPYRIDINE-2-CARBOXAMIDE | A,B | 1UWJ | 0.71 | |
IM8 | 2-[1-(4-CHLOROBENZOYL)-5-METHOXY- 2-METHYL-1H-INDOL-3-YL]-N-[(1R)- 1-(HYDROXYMETHYL)PROPYL]ACETAMIDE | P | 2OYE | 0.79 | |
FRI | 2-GUANIDINO-4-METHYL-PENTANOIC ACID [2- (4-{5-[4-(4-ACETYLAMINO-BENZYLOXY)- 2,3-DICHLORO-PHENYL]-2-METHYL-2H- PYRAZOL-3-YL}-PIPERIDIN-1-YL)-2- OXO-ETHYL]-AMIDE | A,B,C,D | 1QVN | 0.76 | |
QUN | QUINACRINE | A,B | 1JQE | 0.72 | |
337 | N-benzyl-1-[5-({5-tert-butyl-2- methoxy-3-[(methylsulfonyl)amino]phenyl}carbamoyl)- 2-methylphenyl]-1H-1,2,3-triazole- 4-carboxamide | A | 3CTQ | 0.72 | |
AIZ | 3-{6-[(2-CHLOROPHENYL)AMINO]-1H- INDAZOL-3-YL}-5-{[4-(DIMETHYLAMINO)BUTANOYL]AMINO}BENZOIC ACID | A | 2B1P | 0.73 | |
IMM | 1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE- 3-ACETIC ACID | A,B | 1PGF | 0.7 | |
IMM | 1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE- 3-ACETIC ACID | A,B | 1PGG | 0.7 | |
GG2 | 1-(4-METHOXYPHENYL)-7-OXO-6-[4- (2-OXOPIPERIDIN-1-YL)PHENYL]-4,5,6,7- TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDINE- 3-CARBOXAMIDE | A | 2P16 | 0.79 | |
541 | (2R)-N-HYDROXY-2-[(3S)-3-METHYL- 3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}- 2-OXOPYRROLIDIN-1-YL]PROPANAMIDE | A,B | 2FV5 | 0.72 | |
BIJ | 7-{[(2Z,5S)-5-CHLORO-2-{[2-METHOXY- 4-(4-METHYLPIPERAZIN-1-YL)PHENYL]IMINO}- 2,5-DIHYDROPYRIMIDIN-4-YL]AMINO}- 2-METHYL-2,3-DIHYDRO-1H-ISOINDOL- 1-ONE | A | 2JKO | 0.71 | |
900 | N-(4-chlorophenyl)-6-[(6,7-dimethoxyquinolin- 4-yl)oxy]naphthalene-1-carboxamide | A,B | 3B8Q | 0.72 | |
A4L | 9-[(5-(ACETYLAMINO)-6-{[(1S,4R)- 8-AMINO-4-[((2R)-6-AMINO-2-{2-[(1S)- 5-AMINO-1-FORMYLPENTYL]HYDRAZINO}HEXANOYL)AMINO]- 1-(4-AMINOBUTYL)-2,3-DIOXOOCTYL]AMINO}- 6-OXOHEXYL)AMINO]-6-CHLORO-2-METHOXYACRIDINIUM | A,B | 1XCS | 0.74 | |
IMN | INDOMETHACIN | A | 2BXM | 0.75 | |
IMN | INDOMETHACIN | A | 3FO7 | 0.75 | |
IMN | INDOMETHACIN | A,B,C,D | 1Z9H | 0.75 | |
IMN | INDOMETHACIN | A | 2BXQ | 0.75 | |
IMN | INDOMETHACIN | A,B,C,D | 4COX | 0.75 | |
IMN | INDOMETHACIN | A | 2ALT | 0.75 | |
IMN | INDOMETHACIN | A | 2OTH | 0.75 | |
IMN | INDOMETHACIN | A,B | 2DM6 | 0.75 | |
IMN | INDOMETHACIN | A | 1S2A | 0.75 | |
IMN | INDOMETHACIN | A | 2ZB8 | 0.75 | |
IMN | INDOMETHACIN | A | 3HWZ | 0.75 | |
IMN | INDOMETHACIN | A | 2BXK | 0.75 | |
DRO | 1-(2-{[(3S)-3-(aminomethyl)-3,4- dihydroisoquinolin-2(1H)-yl]carbonyl}phenyl)- 4-chloro-5-methyl-N,N-diphenyl- 1H-pyrazole-3-carboxamide | A,B | 2W3L | 0.71 | |
IMA | [4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL- BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}- METHYL)-PHENYL]-TRIMETHYL-AMMONIUM | B | 1LPG | 0.74 | |
IMA | [4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL- BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}- METHYL)-PHENYL]-TRIMETHYL-AMMONIUM | A | 1LQE | 0.74 | |
JK2 | 3-{5-[(2-fluorophenyl)amino]-1H- indazol-1-yl}-N-(3,4,5-trimethoxyphenyl)benzamide | A | 3FI3 | 0.73 | |
4FR | 3'-chloro-5'-[6-({2-methoxy-4-[(1- methylpiperidin-4-yl)carbamoyl]phenyl}amino)- 3-methyl-1H-pyrazolo[4,3-c]pyridin- 1-yl]biphenyl-2-carboxamide | A | 3DBE | 0.75 | |
JK1 | 3-{4-[(phenylcarbamoyl)amino]-1H- pyrazol-1-yl}-N-(3,4,5-trimethoxyphenyl)benzamide | A | 3FI2 | 0.73 | |
8IN | [3-(1-BENZYL-3-CARBAMOYLMETHYL- 2-METHYL-1H-INDOL-5-YLOXY)-PROPYL- ]-PHOSPHONIC ACID | A | 1DB4 | 0.7 | |
SF2 | 5-CHLORO-1-(3-METHOXYBENZYL)-3- (PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID | A,B | 2Q6R | 0.71 | |
2GG | 5-(5-CHLORO-2,4-DIHYDROXYPHENYL)- N-ETHYL-4-(4-METHOXYPHENYL)ISOXAZOLE- 3-CARBOXAMIDE | A | 2UWD | 0.7 | |
FRH | 5-[2,3-DICHLORO-4-(5-{1-[2-(2-GUANIDINO- 4-METHYL-PENTANOYLAMINO)-ACETYL]- PIPERIDIN-4-YL}-1-METHYL-1H-PYRAZOL- 3-YL)-PHENOXYMETHYL]-FURAN-2-CARBOXYLIC ACID | A,B,C,D | 1PY2 | 0.7 | |
61E | 4-(2-chlorophenyl)-8-[3-(dimethylamino)propoxy]- 9-hydroxy-6-methylpyrrolo[3,4-c]carbazole- 1,3(2H,6H)-dione | A | 3BIZ | 0.72 | |
PQA | [5-AMINO-1-(4-FLUOROPHENYL)-1H- PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE | A | 2BAL | 0.7 | |
2E1 | 5-(5-CHLORO-2,4-DIHYDROXYPHENYL)- N-ETHYL-4-PIPERAZIN-1-YL-1H-PYRAZOLE- 3-CARBOXAMIDE | A | 2CCT | 0.73 | |
BI5 | 4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE | A | 1ZYJ | 0.71 | |
4QC | 3-[6-{2'-[(DIMETHYLAMINO)METHYL]BIPHENYL- 4-YL}-7-OXO-3-(TRIFLUOROMETHYL)- 4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4- C]PYRIDIN-1-YL]BENZAMIDE | A | 2G00 | 0.71 | |
380 | (2R)-2-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO)- N-BENZYL-2-(3,4-DIMETHOXYPHENYL)ACETAMIDE | H,L | 1W2K | 0.71 | |
ML2 | N-[2-(2-iodo-5-methoxy-1H-indol- 3-yl)ethyl]acetamide | A,B | 2QX9 | 0.7 | |
ML2 | N-[2-(2-iodo-5-methoxy-1H-indol- 3-yl)ethyl]acetamide | A,B | 2QX8 | 0.7 | |
NSI | 3-(4-METHOXYPHENYL)-N-(PHENYLSULFONYL)- 1-[3-(TRIFLUOROMETHYL)BENZYL]-1H- INDOLE-2-CARBOXAMIDE | A | 2HFP | 0.71 | |
D05 | 6-(3,4-DIHYDROXYBENZYL)-3-ETHYL- 1-(2,4,6-TRICHLOROPHENYL)-1H-PYRAZOLO[3,4- D]PYRIMIDIN-4(5H)-ONE | A | 2B54 | 0.7 |