Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02230578
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 |
RSO | R-STYRENE OXIDE | A,B | 1PWZ | 0.84 | |
ETY | 4-ethylphenol | A,B,C,D | 2RA6 | 0.71 | |
HC4 | A | 1TS6 | 0.72 | ||
HC4 | A | 3PHY | 0.72 | ||
HC4 | A | 3PYP | 0.72 | ||
HC4 | A | 1T1C | 0.72 | ||
HC4 | A | 1OT6 | 0.72 | ||
HC4 | A | 1TS0 | 0.72 | ||
HC4 | A | 1T1A | 0.72 | ||
HC4 | A | 2PYP | 0.72 | ||
HC4 | A | 2ZOI | 0.72 | ||
HC4 | A | 1OTI | 0.72 | ||
HC4 | A | 1XFQ | 0.72 | ||
HC4 | A | 2D01 | 0.72 | ||
HC4 | A,B,C,D,E,F, G,H | 2O7B | 0.72 | ||
HC4 | A | 2ZOH | 0.72 | ||
HC4 | A | 1GSW | 0.72 | ||
HC4 | A | 2QJ7 | 0.72 | ||
HC4 | A | 1F9I | 0.72 | ||
HC4 | X | 1UWP | 0.72 | ||
HC4 | A | 2PHY | 0.72 | ||
HC4 | A | 1T1B | 0.72 | ||
HC4 | A | 1F98 | 0.72 | ||
HC4 | A | 1T19 | 0.72 | ||
HC4 | X | 1UWN | 0.72 | ||
HC4 | A,B,C,D,E,F, G,H | 2O7F | 0.72 | ||
HC4 | A | 1UGU | 0.72 | ||
HC4 | A | 1TS8 | 0.72 | ||
HC4 | A,B | 1OTD | 0.72 | ||
HC4 | A | 1OTE | 0.72 | ||
HC4 | A | 1GSX | 0.72 | ||
HC4 | A | 1TS7 | 0.72 | ||
HC4 | A | 2PYR | 0.72 | ||
HC4 | A | 1S4S | 0.72 | ||
HC4 | A | 1GSV | 0.72 | ||
HC4 | A | 2I9V | 0.72 | ||
HC4 | A | 2QWS | 0.72 | ||
HC4 | A | 1XFN | 0.72 | ||
HC4 | A | 1S4R | 0.72 | ||
HC4 | A | 1T18 | 0.72 | ||
HC4 | A | 1OTA | 0.72 | ||
HC4 | A | 1D7E | 0.72 | ||
HC4 | A | 1S1Z | 0.72 | ||
HC4 | A,B,C | 1MZU | 0.72 | ||
HC4 | A,B | 1ODV | 0.72 | ||
HC4 | A,B | 2J3J | 0.72 | ||
HC4 | A | 2QJ5 | 0.72 | ||
HC4 | A | 1OTB | 0.72 | ||
HC4 | A | 2D02 | 0.72 | ||
HC4 | A | 1OT9 | 0.72 | ||
HC4 | A | 1NWZ | 0.72 | ||
HC4 | A | 1S1Y | 0.72 | ||
MNN | (S)-MANDELIC ACID NITRILE | A | 1YB6 | 0.71 | |
MPB | 4-HYDROXY-BENZOIC ACID METHYL ESTER | B,C,D | 2VK0 | 0.7 | |
MPB | 4-HYDROXY-BENZOIC ACID METHYL ESTER | A,B,D | 3MTH | 0.7 | |
PPP | 3-PHENYL-1,2-PROPANDIOL | A,B | 1HRN | 0.72 | |
SS1 | 1-PHENYLETHANOL | H | 1UM5 | 0.78 | |
DFB | 2,3-DIFLUOROBENZYL ALCOHOL | A,B | 1QV7 | 0.71 | |
DFB | 2,3-DIFLUOROBENZYL ALCOHOL | A,B,C,D | 1MG0 | 0.71 | |
269 | (1R)-3-chloro-1-phenylpropan-1- ol | A | 2RBS | 0.71 | |
2LP | 2-ALLYLPHENOL | A | 1OV5 | 0.71 | |
4MA | 4-METHYLBENZOIC ACID | A,H | 2HRG | 0.71 | |
DIC | 3,4-DICHLOROISOCOUMARIN | A | 1DIC | 0.7 | |
4BR | 2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE | A | 1PE7 | 0.74 | |
12M | (2-ETHYLPHENYL)METHANOL | A,B | 2F62 | 0.76 | |
OST | METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE | C,D,E | 1SQQ | 0.74 | |
2PM | N-[2-(BENZHYDRYLOXY)ETHYL]-N,N- DIMETHYLAMINE | A,B | 2AOT | 0.72 | |
341 | (3,5-difluorophenyl)methanol | C | 3EON | 0.7 | |
EPT | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.7 | |
MXN | (2R)-hydroxy(phenyl)ethanenitrile | A,B | 3GDN | 0.71 | |
BZM | BENZOIC ACID PHENYLMETHYLESTER | A,B | 1DZM | 0.78 | |
TOM | 4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID | A | 2IMF | 0.76 | |
IOB | 3-IODO-BENZYL ALCOHOL | A,B | 1QK0 | 0.72 | |
LYL | 2-ALLYL-6-METHYL-PHENOL | A | 1OV7 | 0.71 | |
4FA | 4-FLUOROPHENETHYL ALCOHOL | A | 1OWZ | 0.7 | |
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 | |
BGG | CARBONIC ACID MONOBENZYL ESTER | B,D | 1DLK | 0.83 | |
OBZ | O-benzylhydroxylamine | A,B | 3DTH | 0.78 | |
OBZ | O-benzylhydroxylamine | A,B | 3DTG | 0.78 | |
4FE | (2E)-3-(3-hydroxy-4-methoxyphenyl)prop- 2-enoic acid | A | 3CBG | 0.7 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZK0 | 0.78 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJZ | 0.78 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJY | 0.78 | |
2HC | (2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID | A,B | 1V5Z | 0.73 | |
COU | COUMARIN | A | 3CRB | 0.73 | |
COU | COUMARIN | A | 2PMJ | 0.73 | |
COU | COUMARIN | A | 2H90 | 0.73 | |
COU | COUMARIN | A,B,C,D | 1Z10 | 0.73 | |
COU | COUMARIN | A | 2PWB | 0.73 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,C,E | 1KYZ | 0.7 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1JT2 | 0.7 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 6ATJ | 0.7 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B | 1GKL | 0.7 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1GWT | 0.7 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B,C | 2BJH | 0.7 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1GW2 | 0.7 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 3CBG | 0.7 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 2BNJ | 0.7 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B | 1UWC | 0.7 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 7ATJ | 0.7 | |
FHC | 2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE | A | 2OPA | 0.7 | |
FHC | 2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE | A,B,C | 1MFI | 0.7 | |
FHC | 2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE | A,B | 1GYY | 0.7 | |
TRT | FRAGMENT OF TRITON X-100 | A,E | 2I0U | 0.71 | |
TRT | FRAGMENT OF TRITON X-100 | A,B | 1OIZ | 0.71 | |
PCR | P-CRESOL | A | 1JHV | 0.7 | |
PCR | P-CRESOL | A | 1JHU | 0.7 | |
PCR | P-CRESOL | A,B,C,D | 1DIQ | 0.7 | |
959 | benzyl (2-oxopropyl)carbamate | A | 3D62 | 0.73 | |
24B | (2,4-DIFLUOROPHENYL)METHANOL | A,B | 1QV6 | 0.71 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1I0D | 0.72 | |
PEL | 2-PHENYL-ETHANOL | D,H | 2I0T | 0.72 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1HZY | 0.72 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1I0B | 0.72 | |
PEL | 2-PHENYL-ETHANOL | A | 1EYW | 0.72 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1JGM | 0.72 | |
NDH | (1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE | A,B | 1O7P | 0.71 | |
SEM | 3-AMINO-4-OXYBENZYL-2-BUTANONE | A,B | 1THE | 0.75 | |
DBA | (2,6-DIMETHYL-PHENOXY)-ACETIC ACID | A,B | 1IDB | 0.73 | |
ZZ1 | 4-METHYL-2H-CHROMEN-2-ONE | A | 2CIP | 0.75 | |
FC1 | THIOCOUMARIN | A | 2BHJ | 0.73 |