Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02428776
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 |
8PP![]() | 2-[(2E,6E,10E,14E,18E,22E,26E)- 3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA- 2,6,10,14,18,22,26,30-OCTAENYL]PHENOL | A,B,C,D | 1Y0G | 0.7 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1BXG | 0.75 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1TOG | 0.75 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1V2F | 0.75 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1AHX | 0.75 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A | 1TOI | 0.75 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1AY8 | 0.75 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A | 1TOJ | 0.75 | ![]() |
EPT![]() | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.74 | ![]() |
GRO![]() | R-2-PHENYL-PROPRIONIC ACID | B | 1K5S | 0.73 | ![]() |
GRO![]() | R-2-PHENYL-PROPRIONIC ACID | B | 1KEC | 0.73 | ![]() |
GRO![]() | R-2-PHENYL-PROPRIONIC ACID | B | 1K7D | 0.73 | ![]() |
CLT![]() | 4-PHENYL-BUTANOIC ACID | A | 1THL | 0.74 | ![]() |
CLT![]() | 4-PHENYL-BUTANOIC ACID | A,B | 2AY7 | 0.74 | ![]() |
CLT![]() | 4-PHENYL-BUTANOIC ACID | E,I | 1TMN | 0.74 | ![]() |
PPP![]() | 3-PHENYL-1,2-PROPANDIOL | A,B | 1HRN | 0.78 | ![]() |
FLP![]() | FLURBIPROFEN | A,B,C,D | 3PGH | 0.72 | ![]() |
FLP![]() | FLURBIPROFEN | A,B | 1CQE | 0.72 | ![]() |
FLP![]() | FLURBIPROFEN | A,B | 1EQH | 0.72 | ![]() |
FLP![]() | FLURBIPROFEN | A,B | 2AYL | 0.72 | ![]() |
FLP![]() | FLURBIPROFEN | A | 1DVT | 0.72 | ![]() |
FLP![]() | FLURBIPROFEN | A | 1R9O | 0.72 | ![]() |
24B![]() | (2,4-DIFLUOROPHENYL)METHANOL | A,B | 1QV6 | 0.73 | ![]() |
I4B![]() | ISOBUTYLBENZENE | A | 184L | 0.72 | ![]() |
791![]() | 2-PHENYLMALONIC ACID | A | 1O4P | 0.7 | ![]() |
SS2![]() | (1R)-1-PHENYLETHANOL | A | 1ZK0 | 0.76 | ![]() |
SS2![]() | (1R)-1-PHENYLETHANOL | A | 1ZJZ | 0.76 | ![]() |
SS2![]() | (1R)-1-PHENYLETHANOL | A | 1ZJY | 0.76 | ![]() |
M5P![]() | (S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID | A,B | 2YZ3 | 0.72 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A | 1OS0 | 0.77 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJI | 0.77 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJJ | 0.77 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2VS2 | 0.77 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 1OD1 | 0.77 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | E | 1EPR | 0.77 | ![]() |
IBP![]() | IBUPROFEN | A | 3FKX | 0.74 | ![]() |
IBP![]() | IBUPROFEN | A,B | 2BXG | 0.74 | ![]() |
IBP![]() | IBUPROFEN | A,B | 1EQG | 0.74 | ![]() |
IBP![]() | IBUPROFEN | A,B,C | 2WD9 | 0.74 | ![]() |
IBP![]() | IBUPROFEN | A | 2PWS | 0.74 | ![]() |
PPT![]() | 3-(P-TOLYL)PROPIONIC ACID | A,B | 2AY4 | 0.77 | ![]() |
BIP![]() | 2-BENZYL-3-IODOPROPANOIC ACID | A,B,C,D | 1BAV | 0.73 | ![]() |
KPV![]() | 5-PHENYL-2-KETO-VALERIC ACID | A,B | 2Q5Q | 0.75 | ![]() |
2HS![]() | HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER | X | 1YS2 | 0.75 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B | 2Q5O | 0.73 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B | 1LCO | 0.73 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B,C,D,E,F | 2ZF4 | 0.73 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B | 1BW9 | 0.73 | ![]() |
2HR![]() | HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER | X | 1YS1 | 0.75 | ![]() |
341![]() | (3,5-difluorophenyl)methanol | C | 3EON | 0.72 | ![]() |
OXE![]() | ORTHO-XYLENE | A,B | 3E0X | 0.7 | ![]() |
OXE![]() | ORTHO-XYLENE | A | 188L | 0.7 | ![]() |
BZS![]() | L-BENZYLSUCCINIC ACID | A | 1CBX | 0.71 | ![]() |
BZS![]() | L-BENZYLSUCCINIC ACID | A | 1HYT | 0.71 | ![]() |
BZS![]() | L-BENZYLSUCCINIC ACID | A,B | 1WHT | 0.71 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A,B | 1I0D | 0.79 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | D,H | 2I0T | 0.79 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A,B | 1HZY | 0.79 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A,B | 1I0B | 0.79 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A | 1EYW | 0.79 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A,B | 1JGM | 0.79 | ![]() |
4FA![]() | 4-FLUOROPHENETHYL ALCOHOL | A | 1OWZ | 0.8 | ![]() |
LYL![]() | 2-ALLYL-6-METHYL-PHENOL | A | 1OV7 | 0.73 | ![]() |
FPR![]() | PROPYLBENZENE | C | 1RHK | 0.72 | ![]() |
DFB![]() | 2,3-DIFLUOROBENZYL ALCOHOL | A,B | 1QV7 | 0.73 | ![]() |
DFB![]() | 2,3-DIFLUOROBENZYL ALCOHOL | A,B,C,D | 1MG0 | 0.73 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B,C,D | 1S9P | 0.71 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B | 3ERD | 0.71 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B | 1TT6 | 0.71 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B,C,D | 1TZ8 | 0.71 | ![]() |
BFL![]() | A,B | 1Q4G | 0.7 | ![]() | |
PAC![]() | 2-PHENYLACETIC ACID | B | 1PNL | 0.73 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | B | 1K5Q | 0.73 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | B | 1FXH | 0.73 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | A | 2ISF | 0.73 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | A | 2INE | 0.73 | ![]() |
12M![]() | (2-ETHYLPHENYL)METHANOL | A,B | 2F62 | 0.74 | ![]() |
ETY![]() | 4-ethylphenol | A,B,C,D | 2RA6 | 0.7 | ![]() |
5PV![]() | 5-PHENYLVALERIC ACID | A,B | 2AY9 | 0.76 | ![]() |
SS1![]() | 1-PHENYLETHANOL | H | 1UM5 | 0.76 | ![]() |
FCR![]() | ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL | A,B | 1E0Y | 0.7 | ![]() |
FCR![]() | ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL | A,B | 1E8G | 0.7 | ![]() |
N4B![]() | N-BUTYLBENZENE | A | 186L | 0.72 | ![]() |
2LP![]() | 2-ALLYLPHENOL | A | 1OV5 | 0.7 | ![]() |
BTP![]() | 2-THIOMETHYL-3-PHENYLPROPANOIC ACID | A,B | 1JAO | 0.71 | ![]() |
FEP![]() | [(4-{4-[4-(DIFLUORO-PHOSPHONO-METHYL)- PHENYL]-BUTYL}-PHENYL)-DIFLUORO- METHYL]-PHOSPHONIC ACID | A | 1KAV | 0.72 | ![]() |
BDB![]() | A,B | 1KE3 | 0.71 | ![]() | |
PYL![]() | PHENYLETHANE | C | 1B07 | 0.72 | ![]() |
PYL![]() | PHENYLETHANE | A,B | 2VRM | 0.72 | ![]() |
PYL![]() | PHENYLETHANE | A | 1NHB | 0.72 | ![]() |
PBA![]() | PHENYLETHANE BORONIC ACID | C,G | 6CHA | 0.75 | ![]() |
PFL![]() | 2,6-BIS(1-METHYLETHYL)PHENOL | A,B | 1E7A | 0.72 | ![]() |