Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02333978
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 |
LYL | 2-ALLYL-6-METHYL-PHENOL | A | 1OV7 | 0.7 | |
MNN | (S)-MANDELIC ACID NITRILE | A | 1YB6 | 0.79 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG2 | 0.73 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG1 | 0.73 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RH0 | 0.73 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGU | 0.73 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGT | 0.73 | |
341 | (3,5-difluorophenyl)methanol | C | 3EON | 0.73 | |
4HP | 4-HYDROXYPHENYLACETATE | A,B,C,D | 2JBT | 0.7 | |
4HP | 4-HYDROXYPHENYLACETATE | A | 2YYJ | 0.7 | |
4HP | 4-HYDROXYPHENYLACETATE | A | 2YYM | 0.7 | |
4HP | 4-HYDROXYPHENYLACETATE | B | 1AI6 | 0.7 | |
4HP | 4-HYDROXYPHENYLACETATE | M,N,O,P,Q,R | 3PCG | 0.7 | |
HC4 | A | 1TS6 | 0.7 | ||
HC4 | A | 3PHY | 0.7 | ||
HC4 | A | 3PYP | 0.7 | ||
HC4 | A | 1T1C | 0.7 | ||
HC4 | A | 1OT6 | 0.7 | ||
HC4 | A | 1TS0 | 0.7 | ||
HC4 | A | 1T1A | 0.7 | ||
HC4 | A | 2PYP | 0.7 | ||
HC4 | A | 2ZOI | 0.7 | ||
HC4 | A | 1OTI | 0.7 | ||
HC4 | A | 1XFQ | 0.7 | ||
HC4 | A | 2D01 | 0.7 | ||
HC4 | A,B,C,D,E,F, G,H | 2O7B | 0.7 | ||
HC4 | A | 2ZOH | 0.7 | ||
HC4 | A | 1GSW | 0.7 | ||
HC4 | A | 2QJ7 | 0.7 | ||
HC4 | A | 1F9I | 0.7 | ||
HC4 | X | 1UWP | 0.7 | ||
HC4 | A | 2PHY | 0.7 | ||
HC4 | A | 1T1B | 0.7 | ||
HC4 | A | 1F98 | 0.7 | ||
HC4 | A | 1T19 | 0.7 | ||
HC4 | X | 1UWN | 0.7 | ||
HC4 | A,B,C,D,E,F, G,H | 2O7F | 0.7 | ||
HC4 | A | 1UGU | 0.7 | ||
HC4 | A | 1TS8 | 0.7 | ||
HC4 | A,B | 1OTD | 0.7 | ||
HC4 | A | 1OTE | 0.7 | ||
HC4 | A | 1GSX | 0.7 | ||
HC4 | A | 1TS7 | 0.7 | ||
HC4 | A | 2PYR | 0.7 | ||
HC4 | A | 1S4S | 0.7 | ||
HC4 | A | 1GSV | 0.7 | ||
HC4 | A | 2I9V | 0.7 | ||
HC4 | A | 2QWS | 0.7 | ||
HC4 | A | 1XFN | 0.7 | ||
HC4 | A | 1S4R | 0.7 | ||
HC4 | A | 1T18 | 0.7 | ||
HC4 | A | 1OTA | 0.7 | ||
HC4 | A | 1D7E | 0.7 | ||
HC4 | A | 1S1Z | 0.7 | ||
HC4 | A,B,C | 1MZU | 0.7 | ||
HC4 | A,B | 1ODV | 0.7 | ||
HC4 | A,B | 2J3J | 0.7 | ||
HC4 | A | 2QJ5 | 0.7 | ||
HC4 | A | 1OTB | 0.7 | ||
HC4 | A | 2D02 | 0.7 | ||
HC4 | A | 1OT9 | 0.7 | ||
HC4 | A | 1NWZ | 0.7 | ||
HC4 | A | 1S1Y | 0.7 | ||
AHT | 4-(2,5-DIAMINO-5-HYDROXY-PENTYL)- PHENOL | I,T | 1TMB | 0.71 | |
CTL | CIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL | A,B | 2AN3 | 0.73 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MRA | 0.74 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MNS | 0.74 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1DTN | 0.74 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MDR | 0.74 | |
OTR | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGT | 0.73 | |
OTR | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG2 | 0.73 | |
OTR | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 2AN4 | 0.73 | |
24B | (2,4-DIFLUOROPHENYL)METHANOL | A,B | 1QV6 | 0.74 | |
295 | (2S,3S)-3-(4-fluorophenyl)-2,3- dihydroxypropanoic acid | A,B | 2RJR | 0.76 | |
FOS | [[N-(BENZYLOXYCARBONYL)AMINO]METHYL]PHOSPHATE | A | 1BLH | 0.75 | |
FOS | [[N-(BENZYLOXYCARBONYL)AMINO]METHYL]PHOSPHATE | A | 1AXB | 0.75 | |
1ZN | (2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy- 2,6,8-trimethyl-10-phenyldeca-4,6- dienoic acid | C,F,M,N | 2IAE | 0.72 | |
RSO | R-STYRENE OXIDE | A,B | 1PWZ | 0.75 | |
BBL | N-[(BENZYLOXY)CARBONYL]-L-ALANINE | A,I | 2H9H | 0.72 | |
BBL | N-[(BENZYLOXY)CARBONYL]-L-ALANINE | A,I | 2HAL | 0.72 | |
BBL | N-[(BENZYLOXY)CARBONYL]-L-ALANINE | A | 2A4O | 0.72 | |
BBL | N-[(BENZYLOXY)CARBONYL]-L-ALANINE | A,I | 2H6M | 0.72 | |
BBL | N-[(BENZYLOXY)CARBONYL]-L-ALANINE | A | 2CXV | 0.72 | |
TB1 | (3S)-3-(BENZYLOXY)-L-ASPARTIC ACID | A,B,C | 2NWW | 0.7 | |
PYY | D-RIBOFURANOSYL-BENZENE-5'-MONOPHOSPHATE | A | 1G2J | 0.72 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZK0 | 0.82 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJZ | 0.82 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJY | 0.82 | |
MXN | (2R)-hydroxy(phenyl)ethanenitrile | A,B | 3GDN | 0.79 | |
RMN | (R)-MANDELIC ACID | A | 1MDL | 0.81 | |
RMN | (R)-MANDELIC ACID | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 1MCZ | 0.81 | |
SGI | 3-(4-hydroxyphenyl)propanamide | A,B | 2R9K | 0.71 | |
TTL | TRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL | A,B | 2AN5 | 0.73 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1I0D | 0.76 | |
PEL | 2-PHENYL-ETHANOL | D,H | 2I0T | 0.76 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1HZY | 0.76 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1I0B | 0.76 | |
PEL | 2-PHENYL-ETHANOL | A | 1EYW | 0.76 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1JGM | 0.76 | |
BGG | CARBONIC ACID MONOBENZYL ESTER | B,D | 1DLK | 0.78 | |
2HC | (2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID | A,B | 1V5Z | 0.71 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | 0,1,3,4,5,9, A,B,C,H,J,K, L,M,N,O,Q,R, S,T,U,Y,Z | 1VQ6 | 0.77 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | A,B | 1C1X | 0.77 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | 0,1,3,4,9,A, B,C,D,F,H,J, K,L,M,N,O,Q, R,S,T,U,Y,Z | 1VQP | 0.77 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | 0,1,2,3,4,5, 9,A,B,C,D,F, H,J,K,L,M,N, O,Q,R,S,T,U, Y,Z | 1VQN | 0.77 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1QRP | 0.77 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | A | 2CTC | 0.77 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1E82 | 0.77 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1E81 | 0.77 | |
DHR | (2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILE | A,B | 1E55 | 0.72 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | A,B,I | 1ZSR | 0.71 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1ZJ7 | 0.71 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1ZLF | 0.71 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1HEG | 0.71 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1FQX | 0.71 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | A,B,I | 1IIQ | 0.71 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1HEF | 0.71 | |
HHH | (2S)-hydroxy(4-hydroxyphenyl)ethanoic acid | A,B | 2R5V | 0.72 | |
PPP | 3-PHENYL-1,2-PROPANDIOL | A,B | 1HRN | 0.81 | |
MFD | (2S,3S,8S,9S)-3-AMINO-9-METHOXY- 2,6,8-TRIMETHYL-10-PHENYLDECA-4,6- DIENOIC ACID | A | 1AY3 | 0.72 | |
TA2 | (2R,3S)-3-AMINO-3-PHENYLPROPANE- 1,2-DIOL | A,B | 2IFR | 0.73 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 2F4O | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KJO | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CDR | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C1E | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 5PAD | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | E,F | 1JXQ | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 2CNO | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1CGL | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZ9 | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2K | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 2CNL | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KJP | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2M | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZB | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 9HVP | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1ESB | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | E,F | 1DY8 | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 1PPM | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 1GEC | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KS7 | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | C | 1A8G | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KKK | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | T,U,V,W,X,Y | 1QDU | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 4TMN | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 5TMN | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KTO | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A,C | 1TG1 | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZ8 | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 2G58 | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | Q,R,S,T,U,V | 1F9E | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CJY | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 1E8M | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KR6 | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 6TMN | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KRO | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CNN | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2O | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1SQZ | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1THE | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | I,J | 2AZC | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 5EST | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CNK | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KL6 | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 6PAD | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | B,I | 2C2Z | 0.76 | |
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 | 0.71 | |
OPH | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPM | 0.78 | |
OPH | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPL | 0.78 | |
ETY | 4-ethylphenol | A,B,C,D | 2RA6 | 0.7 | |
2NA | naphthalen-2-ylmethanol | A,B,C | 3EE5 | 0.71 | |
DFB | 2,3-DIFLUOROBENZYL ALCOHOL | A,B | 1QV7 | 0.74 | |
DFB | 2,3-DIFLUOROBENZYL ALCOHOL | A,B,C,D | 1MG0 | 0.74 | |
SMN | (S)-MANDELIC ACID | A | 1MDL | 0.81 | |
HPP | HYDROXYPHENYL PROPIONIC ACID | A,B | 2TPL | 0.71 | |
HPP | HYDROXYPHENYL PROPIONIC ACID | A,B,C,D | 3GGP | 0.71 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZSF | 0.71 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A | 1JLD | 0.71 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B | 1IDA | 0.71 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B | 1IDB | 0.71 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1Z8C | 0.71 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZBG | 0.71 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZPK | 0.71 | |
PAC | 2-PHENYLACETIC ACID | B | 1PNL | 0.7 | |
PAC | 2-PHENYLACETIC ACID | B | 1K5Q | 0.7 | |
PAC | 2-PHENYLACETIC ACID | B | 1FXH | 0.7 | |
PAC | 2-PHENYLACETIC ACID | A | 2ISF | 0.7 | |
PAC | 2-PHENYLACETIC ACID | A | 2INE | 0.7 | |
NDH | (1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE | A,B | 1O7P | 0.81 | |
SS1 | 1-PHENYLETHANOL | H | 1UM5 | 0.82 | |
4FA | 4-FLUOROPHENETHYL ALCOHOL | A | 1OWZ | 0.73 | |
OBZ | O-benzylhydroxylamine | A,B | 3DTH | 0.75 | |
OBZ | O-benzylhydroxylamine | A,B | 3DTG | 0.75 | |
12M | (2-ETHYLPHENYL)METHANOL | A,B | 2F62 | 0.78 | |
BRB | PARA-BROMOBENZYL ALCOHOL | A,B | 1HLD | 0.7 | |
LNR | L-NOREPINEPHRINE | A,B | 2QEO | 0.7 | |
LNR | L-NOREPINEPHRINE | A | 3DYE | 0.7 | |
LNR | L-NOREPINEPHRINE | A | 4PAH | 0.7 | |
959 | benzyl (2-oxopropyl)carbamate | A | 3D62 | 0.74 | |
269 | (1R)-3-chloro-1-phenylpropan-1- ol | A | 2RBS | 0.77 | |
2LP | 2-ALLYLPHENOL | A | 1OV5 | 0.72 | |
IOB | 3-IODO-BENZYL ALCOHOL | A,B | 1QK0 | 0.75 |