Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01266736
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 |
PR2 | THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [2- OXO-1-(1H-PYRROLO[2,3-C]PYRIDIN- 2-YLMETHYL)-PYRROLIDIN-3-YL]-AMIDE | A | 1F0S | 0.76 | |
SBS | (S)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)- 4-SULFAMOYL-BENZAMIDE | A | 1IF8 | 0.75 | |
TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | A,B,D,H | 2IUQ | 0.74 | |
TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | A,B | 2FPB | 0.74 | |
TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | D,H | 2AGW | 0.74 | |
TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | A | 2PQL | 0.74 | |
274 | (3Z)-N-(3-CHLOROPHENYL)-3-({3,5- DIMETHYL-4-[(4-METHYLPIPERAZIN- 1-YL)CARBONYL]-1H-PYRROL-2-YL}METHYLENE)- N-METHYL-2-OXOINDOLINE-5-SULFONAMIDE | A | 2J7T | 0.71 | |
DPS | 3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL- PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]- PROPIONIC ACID | A | 1CAQ | 0.73 | |
DPS | 3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL- PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]- PROPIONIC ACID | A | 1CIZ | 0.73 | |
GSQ | 5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL- 2-MORPHOLIN-4-YL-2-5-CHLORO-N-{(3S)- 1-[(1S)-1-METHYL-2-MORPHOLIN-4- YL-2-SULFONAMIDE | A | 2J2U | 0.72 | |
RDR | 4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]- 1-{[1-(2-HYDROXYETHYL)-1H-PYRROLO[3,2- C]PYRIDIN-2-YL]METHYL}PIPERAZIN- 2-ONE | A | 1NFX | 0.77 | |
ME4 | 3-CHLORO-N-((1R,2S) -2-(4-(2-OXOPYRIDIN- 1(2H)-YL)BENZAMIDO)CYCLOHEXYL)- 1H-INDOLE-6-CARBOXAMIDE | A | 2P94 | 0.71 | |
IND | INDOLE | A | 1L4H | 0.72 | |
IND | INDOLE | A,B,G | 1O7N | 0.72 | |
IND | INDOLE | A | 185L | 0.72 | |
IND | INDOLE | A,B | 1EG9 | 0.72 | |
IND | INDOLE | A,B | 1UUV | 0.72 | |
IND | INDOLE | A,C,E | 2B24 | 0.72 | |
IND | INDOLE | A,B,C,D,E,F | 2P85 | 0.72 | |
K88 | (3Z)-N,N-DIMETHYL-2-OXO-3-(4,5,6,7- TETRAHYDRO-1H-INDOL-2-YLMETHYLIDENE)- 2,3-DIHYDRO-1H-INDOLE-5-SULFONAMIDE | A,D | 2WEL | 0.7 | |
TOT | 1,1-(4,4,8,8-TETRAMETHYL-4,8-DIAZAUNDECAMETHYLENE)- BIS-4-3-METHYL-2,3-DIHYDRO-(BENZO- 1,3-THIAZOLE)-2-METHYLIDENE)-QUINOLINIUM | A | 108D | 0.71 | |
6MR | N-[(4'-IODOBIPHENYL-4-YL)SULFONYL]- D-TRYPTOPHAN | A,B | 2OW0 | 0.72 | |
J07 | 4-{[5-chloro-4-(1H-indol-3-yl)pyrimidin- 2-yl]amino}-N-ethylpiperidine-1- carboxamide | A | 2P33 | 0.71 | |
5CH | 5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]- 2,3'-bipyridine | A | 3CFL | 0.74 | |
P83 | 1-(9-ethyl-9H-carbazol-3-yl)-N- methylmethanamine | A,B | 2VUK | 0.72 | |
3NA | {3-[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL- 2-YL)METHYL]-1H-INDOL-1-YL}ACETIC ACID | A | 1Z3N | 0.72 | |
D92 | N-((1R,2S)-2-(5-CHLORO-1H-INDOLE- 2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL- 4,5,6,7-TETRAHYDROTHIAZOLO[5,4- C]PYRIDINE-2-CARBOXAMIDE | A | 2EI6 | 0.71 | |
047 | 1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)- 1H-INDOL-3-YL]METHYL}METHANAMINE | A,B | 2PJL | 0.76 | |
SRS | 4-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.0(13,18)]NONADECA- 12(19),13(18),15,17-TETRAENE-10- CARBAMOYL)PENTA-METHYLSULFONEDIIMINE | A | 1MMR | 0.71 | |
736 | (11S)-8-CHLORO-11-[1-(METHYLSULFONYL)PIPERIDIN- 4-YL]-6-PIPERAZIN-1-YL-11H-BENZO[5,6]CYCLOHEPTA[1,2- B]PYRIDINE | B | 2BED | 0.71 | |
BI1 | 3-{1-[3-(DIMETHYLAMINO)PROPYL]- 1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)- 1H-PYRROLE-2,5-DIONE | A | 1XWS | 0.71 | |
BI1 | 3-{1-[3-(DIMETHYLAMINO)PROPYL]- 1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)- 1H-PYRROLE-2,5-DIONE | B | 2BIK | 0.71 | |
BI1 | 3-{1-[3-(DIMETHYLAMINO)PROPYL]- 1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)- 1H-PYRROLE-2,5-DIONE | A | 1ZRZ | 0.71 | |
BI1 | 3-{1-[3-(DIMETHYLAMINO)PROPYL]- 1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)- 1H-PYRROLE-2,5-DIONE | B | 2BIL | 0.71 | |
BI1 | 3-{1-[3-(DIMETHYLAMINO)PROPYL]- 1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)- 1H-PYRROLE-2,5-DIONE | A | 1UU8 | 0.71 | |
SBB | N-[2-(1H-INDOL-5-YL)-BUTYL]-4-SULFAMOYL- BENZAMIDE | A | 1IF9 | 0.78 | |
BI3 | 3-[1-(3-AMINOPROPYL)-1H-INDOL-3- YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE- 2,5-DIONE | A | 1UU9 | 0.7 | |
AM8 | N-(3-chlorophenyl)-N-methyl-2-oxo- 3-[(3,4,5-trimethyl-1H-pyrrol-2- yl)methyl]-2H-indole-5-sulfonamide | A | 2RFS | 0.74 | |
TSH | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AGY | 0.74 | |
TSH | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AH0 | 0.74 | |
TSH | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AGX | 0.74 | |
D91 | 5-CHLORO-2-({3-ISOBUTYL-4-[(5-PYRIDIN- 4-YLPYRIMIDIN-2-YL)CARBONYL]PIPERAZIN- 1-YL}SULFONYL)-1H-INDOLE | A | 1WU1 | 0.71 | |
BMV | 3-BENZYL-1-(1H-IMIDAZOL-4-YLMETHYL)- 4-(THIEN-2-YLSULFONYL)-2,3,4,5- TETRAHYDRO-1H-1,4-BENZODIAZEPINE- 7-CARBONITRILE | B | 1SA5 | 0.72 | |
D01 | 2-({4-[(5-CHLORO-1H-INDOL-2-YL)SULFONYL]PIPERAZIN- 1-YL}CARBONYL)THIENO[3,2-B]PYRIDINE 4- OXIDE | A | 2D1J | 0.78 | |
DT8 | N-((1R,2S,5S)-2-(5-CHLORO-1H-INDOLE- 2-CARBOXAMIDO)-5-(DIMETHYLCARBAMOYL)CYCLOHEXYL)- 5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4- C]PYRIDINE-2-CARBOXAMIDE | A | 2EI8 | 0.71 | |
NHB | N-HYDROXY-4-(METHYL{[5-(2-PYRIDINYL)- 2-THIENYL]SULFONYL}AMINO)BENZAMIDE | A,B | 1W22 | 0.71 | |
SBR | (R)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)- 4-SULFAMOYL-BENZAMIDE | A | 1IF7 | 0.75 | |
5CB | N-(5-CHLORO-BENZO[B]THIOPHEN-3- YLMETHYL)-2-[6-CHLORO-OXO-3-(2- PYRIDIN-2-YL-ETHYLAMINO)-2H-PYRAZIN- 1-YL]-ACETAMIDE | H,I | 2BVX | 0.7 | |
P5B | N-(ETHYLSULFONYL)TRYPTOPHYL-N~1~- {4-[AMINO(IMINO)METHYL]BENZYL}GLUTAMAMIDE | H,L | 1WUN | 0.71 | |
L12 | 3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE | A | 1W84 | 0.74 | |
RRR | 4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]SULFONYL}- 1-(1H-PYRROLO[3,2-C]PYRIDIN-2-YLMETHYL)PIPERAZIN- 2-ONE | A | 1NFW | 0.81 | |
D93 | N-((1R,2R)-2-(5-CHLORO-1H-INDOLE- 2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL- 4,5,6,7-TETRAHYDROTHIAZOLO[5,4- C]PYRIDINE-2-CARBOXAMIDE | A | 2EI7 | 0.71 | |
815 | THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [1- (1-AMINO-ISOQUINOLIN-7-YLMETHYL)- 2-OXO-PYRROLDIN-3-YL]-AMIDE | A | 1F0R | 0.72 |