Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00178064
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 |
PI7 | N-[3-(8-SEC-BUTYL-7,10-DIOXO-2- OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA- 1(16),13(17),14-TRIEN-11-YAMINO)- 2-HYDROXY-1-(4-HYDROXY-BENZYL) - PROPYL]-3-METHYL-2-PROPIONYLAMINO- BUTYRAMIDE | A,B | 1B6P | 0.7 |  |
098 | (3R)-N~2~-(cyclopropylmethyl)-N~1~- hydroxy-3-(3-hydroxybenzyl)-N~4~- [(1S,2R)-2-hydroxy-2,3-dihydro- 1H-inden-1-yl]-L-aspartamide | A,B | 3HY9 | 0.72 | |
CMQ | N~2~-[(BENZYLOXY)CARBONYL]-N-[(1S,2S)- 2-HYDROXY-1-(4-HYDROXYBENZYL)PROPYL]- L-LEUCINAMIDE | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2FZS | 0.72 | |
CJO | [(2R,4R)-2-[(1R,2R)-1-amino-2-hydroxypropyl]- 4-(4-hydroxybenzyl)-5-oxoimidazolidin- 1-yl]acetic acid | A | 2QT2 | 0.73 | |
099 | (2R)-N~4~-hydroxy-2-(3-hydroxybenzyl)- N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro- 1H-inden-1-yl]butanediamide | A,B | 3HYG | 0.75 | |
JH0 | A,C | 1XZ0 | 0.73 | | |
545 | [2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]- (1,3,4,5-TETRAHYDROXY-4-HYDROXYMETHYL- PIPERIDIN-2-YL)- ACETIC ACID BUTYL ESTER | A | 1JIK | 0.7 | |
IYT | N-ALPHA-ACETYL-3,5-DIIODOTYROSYL- D-THREONINE | A | 1SDW | 0.7 | |
CTZ | C2-HYDROXY-COELENTERAZINE | A | 2HPS | 0.72 | |
| CTZ | C2-HYDROXY-COELENTERAZINE | A | 1EL4 | 0.72 | |
629 | [2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]- (1,3,4,5-TETRAHYDROXY-4-HYDROXYMETHYL- PIPERIDIN-2-YL)- ACETIC ACID | A | 1JIJ | 0.73 | |
CM1 | CARBOXYMYCOBACTIN S | A,B,C | 1X89 | 0.71 | |
EDE | EDEINE B | A,B,D,E,G,H, J,K,L,N,P,Q, R,T | 1I95 | 0.72 | |
TI2 | (2-SULFANYL-3-PHENYLPROPANOYL)- PHE-TYR | A | 1QF0 | 0.7 | |
PI5 | N-[3-(8-SEC-BUTYL-7,10-DIOXO-2- OXA-6,9-DIAZA-BICYCLO[11.2.2]HEPTADECA- 1(16),13(17),14- TRIEN-11-YLAMINO)- 2-HYDROXY-1-(4-HYDROXY-BENZYL)- PROPYL]-3-METHYL-2- (2-OXO-PYRROLIDIN- 1-YL)-BUTYRAMIDE | A,B | 1B6K | 0.71 | |
CZP | (8R)-8-(CYCLOPENTYLMETHYL)-2-HYDROPEROXY- 2-(4-HYDROXYBENZYL)-6-(4-HYDROXYPHENYL)- 7,8-DIHYDROIMIDAZO[1,2-A]PYRAZIN- 3(2H)-ONE | A,B | 1UHH | 0.71 | |
CZH | C2-HYDROPEROXY-COELENTERAZINE | A | 1QV1 | 0.71 | |
| CZH | C2-HYDROPEROXY-COELENTERAZINE | A | 1JF2 | 0.71 | |
| CZH | C2-HYDROPEROXY-COELENTERAZINE | A | 1SL9 | 0.71 | |
| CZH | C2-HYDROPEROXY-COELENTERAZINE | A | 1JF0 | 0.71 | |
| CZH | C2-HYDROPEROXY-COELENTERAZINE | A | 1QV0 | 0.71 | |
| CZH | C2-HYDROPEROXY-COELENTERAZINE | A,B | 1EJ3 | 0.71 | |
TYP | CYCLO-(L-TYROSINE-L-PROLINE) INHIBITOR | A,B | 1W1Y | 0.74 | |
HTA | N-[3-(N'-HYDROXYCARBOXAMIDO)-2- (2-METHYLPROPYL)-PROPANOYL]-O-TYROSINE- N-METHYLAMIDE | A | 1FBL | 0.7 | |
ZYA | BENZOYL-TYROSINE-ALANINE-METHYL KETONE | A | 1AIM | 0.71 | |
0E4 | N-acetyl-L-tyrosyl-L-valyl-L-alanyl- L-aspartic acid | B,D | 3GJS | 0.71 | |
AEB | AERUGINOSIN 98-B | A | 1AQ7 | 0.7 | |
AOE | N-BUTYL-11-[(7R,8R,9S,13S,14S,17S)- 3,17-DIHYDROXY-13-METHYL-7,8,9,11,12,13,14,15,16,17- DECAHYDRO-6H-CYCLOPENTA[A]PHENANTHREN- 7-YL]-N-METHYLUNDECANAMIDE | A | 1HJ1 | 0.7 | |
YTT | (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine- 2,5-dione | A | 3G5H | 0.75 | |
CZO | [(2R,4S)-2-[(1S,2R)-1-amino-2-hydroxypropyl]- 2-hydroxy-4-(4-hydroxybenzyl)-5- oxoimidazolidin-1-yl]acetic acid | A | 2QRF | 0.72 | |
NLT | N-DODECANOYL-L-TYROSINE | A,B,C,D,E,F, G,H | 2G0B | 0.74 | |
C1N | N-[(BENZYLOXY)CARBONYL]LEUCYL-N~1~- [3-FLUORO-1-(4-HYDROXYBENZYL)-2- OXOPROPYL]LEUCINAMIDE | A | 1ZCM | 0.7 | |
CFY | [(2S)-2-{(2R)-2-[(1S)-1-amino-2- phenylethyl]-2-hydroxy-2,5-dihydro- 1,3-thiazol-4-yl}-4-(4-hydroxybenzyl)- 5-oxo-2,5-dihydro-1H-imidazol-1- yl]acetic acid | A,B,C,D | 2ZMW | 0.72 | |
| CFY | [(2S)-2-{(2R)-2-[(1S)-1-amino-2- phenylethyl]-2-hydroxy-2,5-dihydro- 1,3-thiazol-4-yl}-4-(4-hydroxybenzyl)- 5-oxo-2,5-dihydro-1H-imidazol-1- yl]acetic acid | A | 2ZMU | 0.72 | |
CRQ | [2-(3-CARBAMOYL-1-IMINO-PROPYL)- 4-(4-HYDROXY-BENZYLIDENE)-5-OXO- 4,5-DIHYDRO-IMIDAZOL-1-YL]-ACETIC ACID | A,B,C,D | 1ZGO | 0.72 | |
| CRQ | [2-(3-CARBAMOYL-1-IMINO-PROPYL)- 4-(4-HYDROXY-BENZYLIDENE)-5-OXO- 4,5-DIHYDRO-IMIDAZOL-1-YL]-ACETIC ACID | A,B,C,D,E | 3CGL | 0.72 | |
| CRQ | [2-(3-CARBAMOYL-1-IMINO-PROPYL)- 4-(4-HYDROXY-BENZYLIDENE)-5-OXO- 4,5-DIHYDRO-IMIDAZOL-1-YL]-ACETIC ACID | A,B,C,D | 1G7K | 0.72 | |
| CRQ | [2-(3-CARBAMOYL-1-IMINO-PROPYL)- 4-(4-HYDROXY-BENZYLIDENE)-5-OXO- 4,5-DIHYDRO-IMIDAZOL-1-YL]-ACETIC ACID | A,B,C,D | 1GGX | 0.72 | |
| CRQ | [2-(3-CARBAMOYL-1-IMINO-PROPYL)- 4-(4-HYDROXY-BENZYLIDENE)-5-OXO- 4,5-DIHYDRO-IMIDAZOL-1-YL]-ACETIC ACID | A | 2ARL | 0.72 | |
| CRQ | [2-(3-CARBAMOYL-1-IMINO-PROPYL)- 4-(4-HYDROXY-BENZYLIDENE)-5-OXO- 4,5-DIHYDRO-IMIDAZOL-1-YL]-ACETIC ACID | A,B,C,D,E,F, G,H | 2C9I | 0.72 | |
| CRQ | [2-(3-CARBAMOYL-1-IMINO-PROPYL)- 4-(4-HYDROXY-BENZYLIDENE)-5-OXO- 4,5-DIHYDRO-IMIDAZOL-1-YL]-ACETIC ACID | A | 2VAD | 0.72 | |
| CRQ | [2-(3-CARBAMOYL-1-IMINO-PROPYL)- 4-(4-HYDROXY-BENZYLIDENE)-5-OXO- 4,5-DIHYDRO-IMIDAZOL-1-YL]-ACETIC ACID | A,B,C,D | 2H8Q | 0.72 | |
| CRQ | [2-(3-CARBAMOYL-1-IMINO-PROPYL)- 4-(4-HYDROXY-BENZYLIDENE)-5-OXO- 4,5-DIHYDRO-IMIDAZOL-1-YL]-ACETIC ACID | A,B,C,D | 1ZGP | 0.72 | |
| CRQ | [2-(3-CARBAMOYL-1-IMINO-PROPYL)- 4-(4-HYDROXY-BENZYLIDENE)-5-OXO- 4,5-DIHYDRO-IMIDAZOL-1-YL]-ACETIC ACID | A,B,C,D,E,F, G,H | 2IB5 | 0.72 | |
| CRQ | [2-(3-CARBAMOYL-1-IMINO-PROPYL)- 4-(4-HYDROXY-BENZYLIDENE)-5-OXO- 4,5-DIHYDRO-IMIDAZOL-1-YL]-ACETIC ACID | A | 1MOV | 0.72 | |
| CRQ | [2-(3-CARBAMOYL-1-IMINO-PROPYL)- 4-(4-HYDROXY-BENZYLIDENE)-5-OXO- 4,5-DIHYDRO-IMIDAZOL-1-YL]-ACETIC ACID | A | 1MOU | 0.72 | |
| CRQ | [2-(3-CARBAMOYL-1-IMINO-PROPYL)- 4-(4-HYDROXY-BENZYLIDENE)-5-OXO- 4,5-DIHYDRO-IMIDAZOL-1-YL]-ACETIC ACID | A,B,C,D,E,F, G,H | 2VAE | 0.72 | |
| CRQ | [2-(3-CARBAMOYL-1-IMINO-PROPYL)- 4-(4-HYDROXY-BENZYLIDENE)-5-OXO- 4,5-DIHYDRO-IMIDAZOL-1-YL]-ACETIC ACID | A,B,C,D,E,F, G,H | 2P4M | 0.72 | |
| CRQ | [2-(3-CARBAMOYL-1-IMINO-PROPYL)- 4-(4-HYDROXY-BENZYLIDENE)-5-OXO- 4,5-DIHYDRO-IMIDAZOL-1-YL]-ACETIC ACID | A,B,C,D,E,F, G,H | 2C9J | 0.72 | |
CRU | 4-[(4Z)-1-(CARBOXYMETHYL)-4-(4- HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO- 1H-IMIDAZOL-2-YL]-4-IMINOBUTANOIC ACID | A,B,C,D | 1YZW | 0.71 | |
GAH | N-{[(2S)-1-(N-{[4-({[AMINO(IMINO)METHYL]AMINO}METHYL)CYCLOHEXYL]CARBONYL}- 3-CYCLOHEXYL-L-ALANYL)AZETIDIN- 2-YL]CARBONYL}-L-TYROSYL-N~6~-[AMINO(IMINO)METHYL]- L-LYSINAMIDE | A,H | 1XM1 | 0.7 | |
CSY | [4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY- 1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN- 1-YL]-ACETIC ACID | A,B | 2AH8 | 0.72 | |
| CSY | [4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY- 1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN- 1-YL]-ACETIC ACID | A,B,C,D | 1HCJ | 0.72 | |
| CSY | [4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY- 1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN- 1-YL]-ACETIC ACID | A,B,C,D | 1W7S | 0.72 | |
| CSY | [4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY- 1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN- 1-YL]-ACETIC ACID | A,B,C,D | 1W7T | 0.72 | |
| CSY | [4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY- 1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN- 1-YL]-ACETIC ACID | A,B | 2AHA | 0.72 | |
| CSY | [4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY- 1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN- 1-YL]-ACETIC ACID | A | 1EME | 0.72 | |
| CSY | [4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY- 1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN- 1-YL]-ACETIC ACID | A,B | 1KP5 | 0.72 | |
| CSY | [4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY- 1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN- 1-YL]-ACETIC ACID | A | 1EMM | 0.72 | |
| CSY | [4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY- 1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN- 1-YL]-ACETIC ACID | A | 1EML | 0.72 | |
| CSY | [4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY- 1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN- 1-YL]-ACETIC ACID | A,B,C,D | 1W7U | 0.72 | |
| CSY | [4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY- 1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN- 1-YL]-ACETIC ACID | A,B,C,D | 1EMC | 0.72 | |
| CSY | [4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY- 1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN- 1-YL]-ACETIC ACID | A | 2HPW | 0.72 | |
TYC | L-TYROSINAMIDE | A | 2BF9 | 0.7 | |
| TYC | L-TYROSINAMIDE | A | 2OCI | 0.7 | |
HDI | 3-(4-HYDROXYPHENYL)-4,5-DIHYDRO- 5-ISOXAZOLE-ACETIC ACID METHYL ESTER | A,B,C | 1LJT | 0.72 | |