Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00465796
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 |
961 | 3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8- TETRAMETHYL-5,6,7,8,-TETRAHYDRO- NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID | A | 4LBD | 0.75 | |
961 | 3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8- TETRAMETHYL-5,6,7,8,-TETRAHYDRO- NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID | A | 1EXX | 0.75 | |
D27 | 2-{[(2E)-3-(3,4-dimethoxyphenyl)prop- 2-enoyl]amino}benzoic acid | A,B,C,D | 2VD0 | 0.71 | |
761 | 3-(OXALYL-AMINO)-NAPHTHALENE-2- CARBOXYLIC ACID | A | 1C84 | 0.74 | |
11B | (5R,6S,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)- 6-HYDROXY-3-OXO-5-PENTYL-1-PHENYL- 2,7-DIOXA-4-AZA-6-PHOSPHANONAN- 9-OIC ACID 6-OXIDE | A,B,C | 2PJ5 | 0.74 | |
DRF | (2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN- 10-YL)ETHOXY]PHENYL}PROPANOIC ACID | A | 1NYX | 0.71 | |
RXC | (1S)-1-(3-chlorophenyl)-2-oxo-2- [(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin- 5-yl)amino]ethyl acetate | A,B,C,D | 3DEJ | 0.74 | |
RQ3 | 2-{4-[(3,5-DIMETHYLANILINO)-CARBONYL- METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID | A,B,C,D | 1G9V | 0.76 | |
H12 | 6-CHLORO-4-(CYCLOHEXYLOXY)-3-PROPYLQUINOLIN- 2(1H)-ONE | A | 1TKT | 0.72 | |
421 | 6-CARBAMIMIDOYL-4-(3-HYDROXY-2- METHYL-BENZOYLAMINO)-NAPHTHALENE- 2-CARBOXYLIC ACID METHYL ESTER | A | 1ZSK | 0.74 | |
712 | 3-({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)- 5-[METHYL(METHYLSULFONYL)AMINO]BENZYL ALPHA- METHYL-D-PHENYLALANINATE | A | 2PH6 | 0.7 | |
H20 | 6-CHLORO-4-(CYCLOHEXYLOXY)-3-ISOPROPYLQUINOLIN- 2(1H)-ONE | A | 1TL3 | 0.7 | |
CNO | 2-{4-[(3{2-[4-(1-CARBOXY-1-METHYL- ETHOXY)-PHENYL]-ACETYLAMINO}-PHENYLCARBAMOYL)- METHYL]-PHENOXY}-2-METHYL-PROPIONIC ACID | A,B,C,D | 1K0Y | 0.75 | |
ICU | METHYL(2-ACETOXY-2-(2-CARBOXY-4- AMINO-PHENYL))ACETATE | A | 1JIM | 0.72 | |
FEX | A | 1OSH | 0.7 | ||
RXB | (1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo- 1,2,3,4-tetrahydroisoquinolin-5- yl)amino]ethyl acetate | A,B,C,D | 3DEI | 0.78 | |
IN0 | N-{2-[TRANS-7-CHLORO-1-(2,2-DIMETHYL- PROPYL) -5-NAPHTHALEN-1-YL-2-OXO- 1,2,3,5-TETRAHYDRO-BENZO[E] [1,4]OXAZEPIN- 3-YL]-ACETYL}-ASPARTIC ACID | A,B,C | 1EZF | 0.72 | |
414 | (5R,6R,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)- 5-CYCLOHEXYL-6-HYDROXY-3-OXO-1- PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN- 9-OIC ACID 6-OXIDE | A,B | 2PJ4 | 0.74 | |
UC3 | 1-METHYL ETHYL 2-CHLORO-5-[[[(1- METHYLETHOXY)THIOOXO]METHYL]AMINO]- BENZOATE | A | 1RT6 | 0.72 | |
989 | 2-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL- ETHYL)-NAPHTHALEN-1-YL]-OXALYL- AMINO}-BENZOIC ACID | A | 1NL9 | 0.74 | |
SH4 | (1R)-1-PHENYLETHYL 4-(ACETYLAMINO)BENZYLPHOSPHONATE | H | 1UM4 | 0.73 | |
A80 | N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO- NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID | A | 2CBR | 0.75 | |
394 | R-3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8- TETRAMETHYL-5,6,7,8,-TETRAHYDRO- NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID | A | 1EXA | 0.75 | |
794 | 2-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACID | A | 1NO6 | 0.75 | |
6CA | A | 2FLM | 0.7 | ||
SK2 | (3R)-METHYLCARBAMOYL-7-SULFOAMINO- 3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID BENZYL ESTER | A | 2F6V | 0.74 | |
968 | 2-[(7-HYDROXY-NAPHTHALEN-1-YL)- OXALYL-AMINO]-BENZOIC ACID | A | 1ONZ | 0.71 | |
33Z | (2S)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)- 3-[(R)-[(1R)-1-({N-[(BENZYLOXY)CARBONYL]- L-PHENYLALANYL}AMINO)-2-METHYLPROPYL](HYDROXY)PHOSPHORYL]PROPANOIC ACID | A,B,C | 2PJA | 0.7 | |
FDN | (5S)-3-ANILINO-5-(2,4-DIFLUOROPHENYL)- 5-METHYL-1,3-OXAZOLIDINE-2,4-DIONE | C,D,E | 2FYU | 0.72 | |
922 | (5R,6S,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)- 6-HYDROXY-5-ISOPROPYL-3-OXO-1-PHENYL- 2,7-DIOXA-4-AZA-6-PHOSPHANONAN- 9-OIC ACID 6-OXIDE | A,B,C | 2PJ0 | 0.73 | |
44C | A | 2FBR | 0.7 | ||
RAC | 4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)- BENZOIC ACID | H | 1MEX | 0.76 | |
U02 | [2-(3-{[6-(1-BENZYL-PROPYL)-4-HYDROXY- 2-OXO-2H-PYRAN-3-YL]-CYCLOPROPYL- METHYL}-PHENYLCARBAMOYL)-ETHYL]- CARBAMIC ACID TERT-BUTYL ESTER | A | 2UPJ | 0.71 | |
KI2 | 3-BENZYLOXYCARBONYLAMINO-2-HYDROXY- 4-PHENYL-BUTYRIC ACID | A,B,I,J | 1NH0 | 0.7 | |
KI2 | 3-BENZYLOXYCARBONYLAMINO-2-HYDROXY- 4-PHENYL-BUTYRIC ACID | I | 1U8G | 0.7 | |
XIN | methyl (3Z)-3-{[(4-{methyl[(4-methylpiperazin- 1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}- 2-oxo-2,3-dihydro-1H-indole-6-carboxylate | A | 3C7Q | 0.71 |