Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00029877
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 |
PN1 | (2S,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}- 3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE- 2-CARBOXYLIC ACID | A | 1W2N | 0.73 |  |
| PN1 | (2S,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}- 3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE- 2-CARBOXYLIC ACID | A | 1UNB | 0.73 | |
G26 | 2-(BENZYLCARBAMOYL-PHENYLACETYLAMINO- METHYL)-5,5-DIMETHYL-THIAZOLIDINE- 4-CARBOXYLIC ACID (HYDROXYMETHYL- 2-PHENYLETHYL)AMIDE | A,B | 1HTF | 0.71 | |
4HF | N-[(5-{2-[(6R)-2-AMINO-4-OXO-3,4,5,6,7,8- HEXAHYDROPYRIDO[2,3-D]PYRIMIDIN- 6-YL]ETHYL}-2-THIENYL)CARBONYL]- L-GLUTAMIC ACID | A,B,C | 2FMN | 0.74 | |
TP3 | 4-[[GLUTAMIC ACID]-CARBONYL]-BENZENE- SULFONYL-D-PROLINE | A,B | 1F4F | 0.74 | |
NDL | N-BENZOYL-L-NORLEUCYL-L-LYSYL-L- ARGINYL-L-ARGININE | B | 2FP7 | 0.71 | |
160 | 3-(3-{2-[(5-METHANESULFONYL-THIOPHENE- 2-CARBONYL)-AMINO]-ETHYLDISULFANYLMETHYL}- BENZENESULFONYLAMINO)-4-OXO-PENTANOIC ACID | A,B | 1NMQ | 0.75 | |
TI3 | [(2S)-2-SULFANYL-3-PHENYLPROPANOYL]- GLY-(5-PHENYLPROLINE) | A | 1QF2 | 0.72 | |
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 | 0.72 | |
TP4 | N-[4-[[GLUTAMIC ACID]-CARBONYL]- BENZENE-SULFONYL-D-PROLINYL]-3- AMINO-PROPANOIC ACID | A,B | 1F4G | 0.74 | |
UBE | 3-({3-[(2S)-2-amino-2-carboxyethyl]- 5-methyl-2,6-dioxo-3,6-dihydropyrimidin- 1(2H)-yl}methyl)-5-phenylthiophene- 2-carboxylic acid | A,B | 2QS3 | 0.72 | |
699 | (2S,4S,5R)-2-ISOBUTYL-5-(2-THIENYL)- 1-[4-(TRIFLUOROMETHYL)BENZOYL]PYRROLIDINE- 2,4-DICARBOXYLIC ACID | A,B | 2JC0 | 0.78 | |
CEH | 5-{3-(S)-(4-(R)-ACETYLAMINO-4-CARBOXY- BUTYRYLAMINO)-3-[1-(R)-(1-(R)-CARBOXY- ETHYLCARBAMOYL)-ETHYLCARBAMOYL]- PROPYL}-2-(CARBOXY-PHENYLACETYLAMINO- METHYL)-3,6-DIHYDRO-2H-[1,3]THIAZINE- 4-CARBOXYLIC ACID | A | 1HVB | 0.72 | |
VG3 | N-[(1S,2R)-1-benzyl-3-{[(1S)-2- (cyclohexylamino)-1-methyl-2-oxoethyl]amino}- 2-hydroxypropyl]-3-(pentylsulfonyl)benzamide | A | 2VIY | 0.72 | |
PNM | OPEN FORM - PENICILLIN G | A | 1GHP | 0.71 | |
| PNM | OPEN FORM - PENICILLIN G | A | 1PWC | 0.71 | |
| PNM | OPEN FORM - PENICILLIN G | A | 1IYQ | 0.71 | |
| PNM | OPEN FORM - PENICILLIN G | A | 1FQG | 0.71 | |
| PNM | OPEN FORM - PENICILLIN G | A,B,C,D | 2J8Y | 0.71 | |
| PNM | OPEN FORM - PENICILLIN G | A,B,C,D | 2JBF | 0.71 | |
| PNM | OPEN FORM - PENICILLIN G | A | 2EX8 | 0.71 | |
KCP | 2-[CARBOXY-(2-THIOPHEN-2-YL-ACETYLAMINO)- METHYL]-5-METHYL-3,6-DIHYDRO-2H- [1,3]THIAZINE-4-CARBOXYLIC ACID | A,B | 1KVL | 0.71 | |
GSB | S-BENZYL-GLUTATHIONE | A,B,C,D | 1FRO | 0.7 | |
| GSB | S-BENZYL-GLUTATHIONE | A,B,C,D | 1GUH | 0.7 | |
TIN | A,B | 1N94 | 0.73 | | |
G23 | (2R,4S)-2-[(R)-BENZYLCARBAMOYL- PHENYLACETYL-METHYL]-5,5-DIMETHYL- THIAZOLIDINE-4-CARBOXYLIC ACID | A | 1HTE | 0.75 | |
BAT | 4-(N-HYDROXYAMINO)-2R-ISOBUTYL- 2S-(2-THIENYLTHIOMETHYL)SUCCINYL- L-PHENYLALANINE-N-METHYLAMIDE | A | 1JK3 | 0.73 | |
| BAT | 4-(N-HYDROXYAMINO)-2R-ISOBUTYL- 2S-(2-THIENYLTHIOMETHYL)SUCCINYL- L-PHENYLALANINE-N-METHYLAMIDE | A | 1MMB | 0.73 | |
| BAT | 4-(N-HYDROXYAMINO)-2R-ISOBUTYL- 2S-(2-THIENYLTHIOMETHYL)SUCCINYL- L-PHENYLALANINE-N-METHYLAMIDE | A | 2RJQ | 0.73 | |
| BAT | 4-(N-HYDROXYAMINO)-2R-ISOBUTYL- 2S-(2-THIENYLTHIOMETHYL)SUCCINYL- L-PHENYLALANINE-N-METHYLAMIDE | A | 1RM8 | 0.73 | |
| BAT | 4-(N-HYDROXYAMINO)-2R-ISOBUTYL- 2S-(2-THIENYLTHIOMETHYL)SUCCINYL- L-PHENYLALANINE-N-METHYLAMIDE | A,B | 2J83 | 0.73 | |
| BAT | 4-(N-HYDROXYAMINO)-2R-ISOBUTYL- 2S-(2-THIENYLTHIOMETHYL)SUCCINYL- L-PHENYLALANINE-N-METHYLAMIDE | A,B | 1DTH | 0.73 | |
SM4 | (1R)-1-(2-THIOPHEN-2-YL-ACETYLAMINO)- 1-(3-(2-CARBOXYVINYL)-PHENYL) METHYLBORONIC ACID | A,B | 2RCX | 0.72 | |
3SP | N-(CARBOXYMETHYL)-3-CYCLOHEXYL- D-ALANYL-N-({5-[(E)-AMINO(IMINO)METHYL]THIEN- 2-YL}METHYL)-L-PROLINAMIDE | D,H | 2FES | 0.8 | |
SM2 | (1R)-1-(2-THIENYLACETYLAMINO)-1- (3-CARBOXYPHENYL)METHYLBORONIC ACID | A,B | 1PI5 | 0.73 | |
| SM2 | (1R)-1-(2-THIENYLACETYLAMINO)-1- (3-CARBOXYPHENYL)METHYLBORONIC ACID | A | 1NXY | 0.73 | |
| SM2 | (1R)-1-(2-THIENYLACETYLAMINO)-1- (3-CARBOXYPHENYL)METHYLBORONIC ACID | A,B | 1MXO | 0.73 | |
| SM2 | (1R)-1-(2-THIENYLACETYLAMINO)-1- (3-CARBOXYPHENYL)METHYLBORONIC ACID | A,B | 1YM1 | 0.73 | |
UBA | (S)-1-(2-AMINO-2-CARBOXYETHYL)- 3(2-CARBOXYTHIOPHENE-3-YL-METHYL)- 5-METHYLPYRIMIDINE-2,4-DIONE | A,B | 2F34 | 0.7 | |
| UBA | (S)-1-(2-AMINO-2-CARBOXYETHYL)- 3(2-CARBOXYTHIOPHENE-3-YL-METHYL)- 5-METHYLPYRIMIDINE-2,4-DIONE | A,B | 2OJT | 0.7 | |
PNN | PENICILLIN G | A,B | 1GM7 | 0.71 | |
| PNN | PENICILLIN G | B | 1FXV | 0.71 | |
| PNN | PENICILLIN G | A | 1UOF | 0.71 | |
| PNN | PENICILLIN G | A | 1UOB | 0.71 | |
AIC | (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}- 3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE- 2-CARBOXYLIC ACID | A | 2RDD | 0.73 | |
| AIC | (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}- 3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE- 2-CARBOXYLIC ACID | A,B,C,D | 1NX9 | 0.73 | |
| AIC | (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}- 3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE- 2-CARBOXYLIC ACID | A | 1H8S | 0.73 | |
| AIC | (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}- 3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE- 2-CARBOXYLIC ACID | A | 2EX6 | 0.73 | |