Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00306067
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 |
1IN![]() | 1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL- CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]- 4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE- 2-CARBOXYLIC ACID TERT-BUTYLAMIDE | B | 2BPV | 0.71 | ![]() |
1IN![]() | 1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL- CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]- 4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE- 2-CARBOXYLIC ACID TERT-BUTYLAMIDE | B | 2BPW | 0.71 | ![]() |
KNI![]() | (N-TERT-BUTYL-THIOPROLINE)-(5-ISOQUINOLYLOXYACETYL- METHYLTHIOALANINE)-ALLOPHENYLNORSTATINE | A,B | 3FX5 | 0.72 | ![]() |
KNI![]() | (N-TERT-BUTYL-THIOPROLINE)-(5-ISOQUINOLYLOXYACETYL- METHYLTHIOALANINE)-ALLOPHENYLNORSTATINE | B | 1HPX | 0.72 | ![]() |
KNI![]() | (N-TERT-BUTYL-THIOPROLINE)-(5-ISOQUINOLYLOXYACETYL- METHYLTHIOALANINE)-ALLOPHENYLNORSTATINE | B | 2ZYE | 0.72 | ![]() |
YBH![]() | 4-OXO-3-{6-[4-(QUINOXALIN-2-YLOXY)- BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}- BUTYRIC ACID | A | 1RWX | 0.72 | ![]() |
RO1![]() | (3S,4AS,8AS)-N-(TERT-BUTYL)-2-[(3S)- 3-({3-(METHYLSULFONYL)-N-[(PYRIDIN- 3-YLOXY)ACETYL]-L-VALYL}AMINO)- 2-OXO-4-PHENYLBUTYL]DECAHYDROISOQUINOLINE- 3-CARBOXAMIDE | A,B | 2F3K | 0.7 | ![]() |
GEA![]() | GE2270A | A,B | 1D8T | 0.71 | ![]() |
GEA![]() | GE2270A | A | 2C77 | 0.71 | ![]() |
RIT![]() | RITONAVIR | A,B | 2B60 | 0.7 | ![]() |
RIT![]() | RITONAVIR | B,D | 1N49 | 0.7 | ![]() |
RIT![]() | RITONAVIR | A | 1RL8 | 0.7 | ![]() |
RIT![]() | RITONAVIR | B | 1SH9 | 0.7 | ![]() |
RIT![]() | RITONAVIR | B | 1HXW | 0.7 | ![]() |
180![]() | 2-(S)-[N-(3-PYRIDYLSULFONYL)AMINO]- 3-[[2-CARBONYL-5-[2-(PIPERIDIN- 4-YL)ETHYL]-THIENO[2,3-B]THIOPHENEYL]AMINO]- PROPIONIC ACID | A,B | 2VC2 | 0.75 | ![]() |
O33![]() | (4R)-N-[(1S,2R)-2-HYDROXY-2,3-DIHYDRO- 1H-INDEN-1-YL]-3-[(2S,3S)-2-HYDROXY- 3-({N-[(ISOQUINOLIN-5-YLOXY)ACETYL]- S-METHYL-L-CYSTEINYL}AMINO)-4-PHENYLBUTANOYL]- 5,5-DIMETHYL-1,3-THIAZOLIDINE-4- CARBOXAMIDE | B | 2PK6 | 0.7 | ![]() |
PSZ![]() | 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN- 4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID | A | 2QB3 | 0.71 | ![]() |
PSZ![]() | 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN- 4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID | A | 2QB2 | 0.71 | ![]() |
PSZ![]() | 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN- 4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID | A | 2QBT | 0.71 | ![]() |
PSZ![]() | 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN- 4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID | A | 2QA3 | 0.71 | ![]() |
PSZ![]() | 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN- 4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID | A | 2Q7W | 0.71 | ![]() |
POS![]() | 1-[[(4-PHENOXYPHENYL)SULFONYL]AMINO]- 3-[[N/N-(4-PYRIDINYLCARBONYL)-L- LEUCYL]AMINO]-2-PROPANOL | A | 1AU2 | 0.7 | ![]() |
VRS![]() | VIRGINIAMYCIN S1 | 0,1,2,3,9,A, B,C,H,J,K,L, M,N,O,Q,R,S, T,U,Y,Z | 1YIT | 0.72 | ![]() |
PR1![]() | 4-HYDROXY-3-[2-OXO-3-(THIENO[3,2- B]PYRIDINE-2-SULFONYLAMINO)-PYRROLIDIN- 1-YLMETHYL]-BENZAMIDINE | A | 1F0T | 0.72 | ![]() |
PF3![]() | (2R)-3-({[4-[(PYRIDIN-4-YL)PHENYL]- THIEN-2-YL}CARBOXAMIDO)(PHENYL)PROPANOIC ACID | A,B | 1UTZ | 0.76 | ![]() |
HQC![]() | 3-{6-[(8-HYDROXY-QUINOLINE-2-CARBONYL)- AMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}- 4-OXO-BUTYRI ACID | A | 1RWP | 0.73 | ![]() |
SYB![]() | 4-[4-(DIMETHYLAMINO)-N-METHYL-L- PHENYLALANINE]-5-[(2S,5R)-5-[[[(3S)- 1-AZABICYCLO-[2.2.2]OCT-3-YL]THIO]METHYL]- 4-OXO-2-PIPERIDINECARBOXYLIC ACID]VIRGINIAMYCIN | A,B | 2Z2P | 0.73 | ![]() |
SYB![]() | 4-[4-(DIMETHYLAMINO)-N-METHYL-L- PHENYLALANINE]-5-[(2S,5R)-5-[[[(3S)- 1-AZABICYCLO-[2.2.2]OCT-3-YL]THIO]METHYL]- 4-OXO-2-PIPERIDINECARBOXYLIC ACID]VIRGINIAMYCIN | 0,1,3,9,A,B, C,H,J,K,L,M, N,O,Q,R,S,T, U,Y,Z | 1YJW | 0.73 | ![]() |
SYB![]() | 4-[4-(DIMETHYLAMINO)-N-METHYL-L- PHENYLALANINE]-5-[(2S,5R)-5-[[[(3S)- 1-AZABICYCLO-[2.2.2]OCT-3-YL]THIO]METHYL]- 4-OXO-2-PIPERIDINECARBOXYLIC ACID]VIRGINIAMYCIN | 0 | 1SM1 | 0.73 | ![]() |
LIQ![]() | N-{(1S)-2-({(1S,2R)-1-(3,5-DIFLUOROBENZYL)- 3-[(3-ETHYLBENZYL)AMINO]-2-HYDROXYPROPYL}AMINO)- 2-OXO-1-[(PENTYLSULFONYL)METHYL]ETHYL}NICOTINAMIDE | A | 2HM1 | 0.71 | ![]() |
P10![]() | [1-(3-HYDROXY-2-OXO-1-PHENETHYL- PROPYLCARBAMOYL)2-PHENYL-ETHYL]- CARBAMIC ACID PYRIDIN-4-YLMETHYL ESTER | A | 1ME3 | 0.72 | ![]() |
CM9![]() | CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)- 1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE | A | 2W09 | 0.7 | ![]() |
TFG![]() | 2,2,2-TRIFLUORO-1-{5-[(3-PHENYL- 5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN- 7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE- 1,1-DIOL | A,B | 2VQQ | 0.71 | ![]() |
TFG![]() | 2,2,2-TRIFLUORO-1-{5-[(3-PHENYL- 5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN- 7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE- 1,1-DIOL | A,B | 2VQO | 0.71 | ![]() |
TFG![]() | 2,2,2-TRIFLUORO-1-{5-[(3-PHENYL- 5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN- 7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE- 1,1-DIOL | A | 2VQJ | 0.71 | ![]() |
INP![]() | 4-[[N-[(PHENYLMETHOXY)CARBONYL]- /NL/N-LEUCYL]AMINO]-1[(2S)-2-[[[4- (PYRIDINYLMETHOXY)CARBONYL]AMINO]- 4-METHYLPENT/NYL]-3-PYRROLIDINONE/N | A | 1AU4 | 0.74 | ![]() |