Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00328256
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 |
605 | 4'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl- 3-carboxamide | A,B | 3D4L | 0.7 | |
4PI | N-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINE | A,B | 2NSD | 0.76 | |
SMK | (3S,6S,7R,9aS)-6-{[(2S)-2-aminobutanoyl]amino}- 7-(2-aminoethyl)-N-(diphenylmethyl)- 5-oxooctahydro-1H-pyrrolo[1,2-a]azepine- 3-carboxamide | A,B | 3EYL | 0.71 | |
FSN | (3ASR,4RS,8ASR,8BRS)-4-(2-(4-FLUOROBENZYL)- 1,3-DIOXODEACAHYDROPYRROLO[3,4- A] PYRROLIZIN-4-YL)BENZAMIDINE | H,I | 1OYT | 0.73 | |
I06 | 2-PHENETHYL-2,3-DIHYDRO-PHTHALAZINE- 1,4-DIONE | D,E,F,G,H,L, M,N,O,P | 1EEF | 0.7 | |
FPB | N-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN- 2-YL}METHYL)BENZAMIDE | A,B | 2BUB | 0.75 | |
N5T | (2S)-4-(2,5-DIFLUOROPHENYL)-N,N- DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H- PYRROLE-1-CARBOXAMIDE | A,B | 2FL6 | 0.7 | |
PZQ | PRAZIQUANTEL | A | 1GTB | 0.74 | |
176 | 1-(2-AMINO-3,3-DIPHENYL-PROPIONYL)- PYRROLIDINE-3-CARBOXYLIC ACID 2,5- DICHLORO-BENZYLAMIDE | A,B | 1TA2 | 0.73 | |
33U | beta-phenyl-D-phenylalanyl-N-(4- carbamimidoylbenzyl)-L-prolinamide | H,I | 2ZO3 | 0.74 | |
822 | N-ACETYL-N-[1-(1,1'-BIPHENYL-4- YLMETHYL)-2-OXOAZEPAN-3-YL]-4-[DIFLUORO(PHOSPHONO)METHYL]PHENYLALANINAMIDE | A | 1O47 | 0.7 | |
53U | D-phenylalanyl-N-benzyl-L-prolinamide | H,I | 2ZFF | 0.75 | |
23U | beta-phenyl-D-phenylalanyl-N-(3- chlorobenzyl)-L-prolinamide | H,I | 3DHK | 0.74 | |
MIN | METHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINE | H,I | 1TOM | 0.7 | |
BI6 | (3S,6S,7Z,10AS)-N-(DIPHENYLMETHYL)- 6-{[(2S)-2-(METHYLIDENEAMINO)BUTANOYL]AMINO}- 5-OXO-1,2,3,5,6,9,10,10A-OCTAHYDROPYRROLO[1,2- A]AZOCINE-3-CARBOXAMIDE | A | 2JK7 | 0.7 | |
N4T | (1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5- DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO- 1H-PYRROL-1-YL]-2-OXOETHANAMINE | A,B | 2FL2 | 0.73 | |
51U | D-phenylalanyl-N-(3-methylbenzyl)- L-prolinamide | H,I | 2ZF0 | 0.75 | |
44U | beta-phenyl-D-phenylalanyl-N-propyl- L-prolinamide | B,D | 3DA9 | 0.74 | |
JNH | 1-[2-(S)-AMINO-3-BIPHENYL-4-YL- PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE | I,J | 2AJL | 0.74 | |
SU2 | 3-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]- 2-INDOLINONE | A,B | 1AGW | 0.71 | |
F25 | 4-(1R,3AS,4R,8AS,8BR)-[1-DIFLUOROMETHYL- 2-(4-FLUOROBENZYL)-3-OXODECAHYDROPYRROLO[3,4- A]PYRROLIZIN-4-YL]BENZAMIDINE | H | 2CN0 | 0.73 | |
X23 | (3S,6S,7R,9aS)-6-{[(2S)-2-aminobutanoyl]amino}- 7-(aminomethyl)-N-(diphenylmethyl)- 5-oxooctahydro-1H-pyrrolo[1,2-a]azepine- 3-carboxamide | A,B,C,D,E,F, G,H,I,J | 3CM2 | 0.71 | |
37U | D-phenylalanyl-N-(3-fluorobenzyl)- L-prolinamide | H,I | 2ZDV | 0.78 | |
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 |