Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00296796
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 |
FNH | (2R)-({N-[(3S)-3-({[(3S,6S)-6-CYCLOHEXYL- 5,8-DIOXO-4,7-DIAZABICYCLO[14.3.1]ICOSA- 1(20),16,18-TRIEN-3-YL]CARBONYL}AMINO)- 2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID | A,C | 2A4Q | 0.7 | |
ALR | ALRESTATIN | A | 1AZ1 | 0.94 | |
821 | A | 1O43 | 0.72 | ||
4PI | N-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINE | A,B | 2NSD | 0.79 | |
BPO | 3-[(Z)-AMINO(IMINO)METHYL]-N-[2- (4-BENZOYL-1-PIPERIDINYL)-2-OXO- 1-PHENYLETHYL]BENZAMIDE | A | 1EB2 | 0.72 | |
BM5 | (R)-(+) 5(9BH)-OXO-9B-PHENYL-2,3- DIHYDROTHIAZOLO[2,3-A]ISOINDOL- 3-CARBOXYLIC ACID METHYL ESTER | A | 1C0U | 0.72 | |
DHQ | 3,4-DIHYDRO-5-METHYL-ISOQUINOLINONE | A | 1PAX | 0.78 | |
51U | D-phenylalanyl-N-(3-methylbenzyl)- L-prolinamide | H,I | 2ZF0 | 0.71 | |
23C | 2-[(1R)-1-carboxy-2-naphthalen- 1-ylethyl]-1,3-dioxo-2,3-dihydro- 1H-isoindole-5-carboxylic acid | A,B | 2R9W | 0.78 | |
153 | (2S)-2-[(2,4-DICHLORO-BENZOYL)- (3-TRIFLUOROMETHYL-BENZYL)-AMINO]- 3-PHENYL-PROPIONIC ACID | A,B | 1NHU | 0.73 | |
FR1 | 2-[4-[[(S)-1-[[(S)-2-[[(RS)-3,3,3- TRIFLUORO-1-ISOPROPYL-2-OXOPROPYL]AMINOCARBONYL]PYRROLIDIN- 1-YL-]CARBONYL]-2-METHYLPROPYL]AMINOCARBONYL]BENZOYLAMINO]ACETIC ACID | N | 1MMJ | 0.71 | |
852 | 2-{4-[2-ACETYLAMINO-2-(1-BIPHENYL- 4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)- ETHYL]-2-CARBOXY-PHENYL}-MALONIC ACID | A | 1O44 | 0.71 | |
314 | N'-[(1S,2R)-2-[(2R,4S)-4-benzylpiperidin- 2-yl]-1-(3,5-difluorobenzyl)-2- hydroxyethyl]-5-methyl-N,N-dipropylbenzene- 1,3-dicarboxamide | A,B | 3CIB | 0.73 | |
316 | N'-[(1S,2S)-2-[(2S)-4-benzyl-3- oxopiperazin-2-yl]-1-(3,5-difluorobenzyl)- 2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene- 1,3-dicarboxamide | A,B | 3CIC | 0.71 | |
BSI | 2-(BIPHENYL-4-SULFONYL)-1,2,3,4- TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID | A | 1BZS | 0.71 | |
BSI | 2-(BIPHENYL-4-SULFONYL)-1,2,3,4- TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID | A | 1I76 | 0.71 | |
4AN | 6-AMINO-BENZO[DE]ISOQUINOLINE-1,3- DIONE | A | 2PAX | 0.74 | |
DK2 | 2-[(1R)-1-CARBOXY-2-(4-HYDROXYPHENYL)ETHYL]- 1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID | A,B | 2PU2 | 0.71 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B,C,D | 1SN9 | 0.7 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B | 1SNE | 0.7 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B,C,D | 1SNA | 0.7 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B | 1XOF | 0.7 | |
853 | 5-[2-ACETYLAMINO-2-(1-BIPHENYL- 4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)- ETHYL]-2-CARBOXYMETHYL-BENZOIC ACID | A | 1O48 | 0.72 | |
008 | (S)-2-[(R)-3-AMINO-4-(2-FLUORO- PHENYL)-BUTYRYL]-1,2,3,4-TETRAHYDRO- ISOQUINOLINE-3-CARBOXYLIC ACID AMIDE | A,B,C,D | 2BUC | 0.73 |