Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00008264
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 |
RNO | (R)-PARA-NITROSTYRENE OXIDE | A,B,C,D | 1ZMT | 0.7 | |
269 | (1R)-3-chloro-1-phenylpropan-1- ol | A | 2RBS | 0.8 | |
SMN | (S)-MANDELIC ACID | A | 1MDL | 0.72 | |
MNN | (S)-MANDELIC ACID NITRILE | A | 1YB6 | 0.79 | |
959 | benzyl (2-oxopropyl)carbamate | A | 3D62 | 0.71 | |
PYY | D-RIBOFURANOSYL-BENZENE-5'-MONOPHOSPHATE | A | 1G2J | 0.74 | |
EPT | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.73 | |
2NA | naphthalen-2-ylmethanol | A,B,C | 3EE5 | 0.72 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1I0D | 0.8 | |
PEL | 2-PHENYL-ETHANOL | D,H | 2I0T | 0.8 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1HZY | 0.8 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1I0B | 0.8 | |
PEL | 2-PHENYL-ETHANOL | A | 1EYW | 0.8 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1JGM | 0.8 | |
BGG | CARBONIC ACID MONOBENZYL ESTER | B,D | 1DLK | 0.85 | |
BZM | BENZOIC ACID PHENYLMETHYLESTER | A,B | 1DZM | 0.73 | |
2MP | 3,4-DIMETHYLPHENOL | A | 1L5O | 0.7 | |
TRT | FRAGMENT OF TRITON X-100 | A,E | 2I0U | 0.7 | |
TRT | FRAGMENT OF TRITON X-100 | A,B | 1OIZ | 0.7 | |
PCR | P-CRESOL | A | 1JHV | 0.71 | |
PCR | P-CRESOL | A | 1JHU | 0.71 | |
PCR | P-CRESOL | A,B,C,D | 1DIQ | 0.71 | |
341 | (3,5-difluorophenyl)methanol | C | 3EON | 0.75 | |
PFL | 2,6-BIS(1-METHYLETHYL)PHENOL | A,B | 1E7A | 0.71 | |
2PM | N-[2-(BENZHYDRYLOXY)ETHYL]-N,N- DIMETHYLAMINE | A,B | 2AOT | 0.78 | |
DFB | 2,3-DIFLUOROBENZYL ALCOHOL | A,B | 1QV7 | 0.76 | |
DFB | 2,3-DIFLUOROBENZYL ALCOHOL | A,B,C,D | 1MG0 | 0.76 | |
RSO | R-STYRENE OXIDE | A,B | 1PWZ | 1 | |
NDH | (1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE | A,B | 1O7P | 0.78 | |
FFD | (1R)-1,4-anhydro-2-deoxy-1-(3-fluorophenyl)- 5-O-phosphono-D-erythro-pentitol | A,B,C,D,E,F, G,H,I,J,K,L | 2PIS | 0.73 | |
MXN | (2R)-hydroxy(phenyl)ethanenitrile | A,B | 3GDN | 0.79 | |
BRB | PARA-BROMOBENZYL ALCOHOL | A,B | 1HLD | 0.71 | |
SS1 | 1-PHENYLETHANOL | H | 1UM5 | 0.85 | |
LYL | 2-ALLYL-6-METHYL-PHENOL | A | 1OV7 | 0.74 | |
FOS | [[N-(BENZYLOXYCARBONYL)AMINO]METHYL]PHOSPHATE | A | 1BLH | 0.7 | |
FOS | [[N-(BENZYLOXYCARBONYL)AMINO]METHYL]PHOSPHATE | A | 1AXB | 0.7 | |
12M | (2-ETHYLPHENYL)METHANOL | A,B | 2F62 | 0.81 | |
CRS | M-CRESOL | A,B,C,D | 1EV3 | 0.7 | |
CRS | M-CRESOL | A,B,C,D,E,F | 2OMG | 0.7 | |
CRS | M-CRESOL | A,B | 1UZ9 | 0.7 | |
CRS | M-CRESOL | A,B,C,D | 1ZEH | 0.7 | |
CRS | M-CRESOL | A,B,C,D,E,F | 1ZEI | 0.7 | |
CRS | M-CRESOL | A,C,D,E | 7INS | 0.7 | |
CRS | M-CRESOL | A,B,C,D,E,G, I,K | 1EV6 | 0.7 | |
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 | 0.71 | |
IOB | 3-IODO-BENZYL ALCOHOL | A,B | 1QK0 | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 2F4O | 0.87 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KJO | 0.87 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CDR | 0.87 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C1E | 0.87 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 5PAD | 0.87 | |
PHQ | FORMIC ACID BENZYL ESTER | E,F | 1JXQ | 0.87 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 2CNO | 0.87 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1CGL | 0.87 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZ9 | 0.87 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2K | 0.87 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 2CNL | 0.87 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KJP | 0.87 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2M | 0.87 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZB | 0.87 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 9HVP | 0.87 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1ESB | 0.87 | |
PHQ | FORMIC ACID BENZYL ESTER | E,F | 1DY8 | 0.87 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 1PPM | 0.87 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 1GEC | 0.87 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KS7 | 0.87 | |
PHQ | FORMIC ACID BENZYL ESTER | C | 1A8G | 0.87 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KKK | 0.87 | |
PHQ | FORMIC ACID BENZYL ESTER | T,U,V,W,X,Y | 1QDU | 0.87 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 4TMN | 0.87 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 5TMN | 0.87 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KTO | 0.87 | |
PHQ | FORMIC ACID BENZYL ESTER | A,C | 1TG1 | 0.87 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZ8 | 0.87 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 2G58 | 0.87 | |
PHQ | FORMIC ACID BENZYL ESTER | Q,R,S,T,U,V | 1F9E | 0.87 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CJY | 0.87 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 1E8M | 0.87 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KR6 | 0.87 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 6TMN | 0.87 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KRO | 0.87 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CNN | 0.87 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2O | 0.87 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1SQZ | 0.87 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1THE | 0.87 | |
PHQ | FORMIC ACID BENZYL ESTER | I,J | 2AZC | 0.87 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 5EST | 0.87 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CNK | 0.87 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KL6 | 0.87 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 6PAD | 0.87 | |
PHQ | FORMIC ACID BENZYL ESTER | B,I | 2C2Z | 0.87 | |
2LP | 2-ALLYLPHENOL | A | 1OV5 | 0.75 | |
4BR | 2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE | A | 1PE7 | 0.71 | |
4FA | 4-FLUOROPHENETHYL ALCOHOL | A | 1OWZ | 0.77 | |
RMN | (R)-MANDELIC ACID | A | 1MDL | 0.72 | |
RMN | (R)-MANDELIC ACID | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 1MCZ | 0.72 | |
PPP | 3-PHENYL-1,2-PROPANDIOL | A,B | 1HRN | 0.8 | |
ETY | 4-ethylphenol | A,B,C,D | 2RA6 | 0.73 | |
24B | (2,4-DIFLUOROPHENYL)METHANOL | A,B | 1QV6 | 0.76 | |
SNO | (S)-PARA-NITROSTYRENE OXIDE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 1ZO8 | 0.7 | |
OBZ | O-benzylhydroxylamine | A,B | 3DTH | 0.84 | |
OBZ | O-benzylhydroxylamine | A,B | 3DTG | 0.84 | |
ZHH | 2-(4-METHOXYPHENYL)ETHANAMINE | D,H | 2HKR | 0.7 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZK0 | 0.85 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJZ | 0.85 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJY | 0.85 | |
SEM | 3-AMINO-4-OXYBENZYL-2-BUTANONE | A,B | 1THE | 0.73 |