Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02227846
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 |
S1A | SORAPHEN A | A,B | 3GID | 0.73 | |
S1A | SORAPHEN A | A,B,C | 1W96 | 0.73 | |
TOM | 4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID | A | 2IMF | 0.7 | |
R12 | 9-(4-HYDROXY-2,6-DIMETHYL-PHENYL)- 3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID | A | 3CBS | 0.73 | |
PFI | (6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO- 4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY- 5,6-DIHYDRO-2H-PYRAN-2-ONE | A | 2HAI | 0.73 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1K5S | 0.74 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1KEC | 0.74 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1K7D | 0.74 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZK0 | 0.76 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJZ | 0.76 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJY | 0.76 | |
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 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A | 1OS0 | 0.72 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJI | 0.72 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJJ | 0.72 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2VS2 | 0.72 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 1OD1 | 0.72 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | E | 1EPR | 0.72 | |
PPT | 3-(P-TOLYL)PROPIONIC ACID | A,B | 2AY4 | 0.72 | |
MFD | (2S,3S,8S,9S)-3-AMINO-9-METHOXY- 2,6,8-TRIMETHYL-10-PHENYLDECA-4,6- DIENOIC ACID | A | 1AY3 | 0.71 | |
UIN | 5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE | B | 5UPJ | 0.74 | |
PFL | 2,6-BIS(1-METHYLETHYL)PHENOL | A,B | 1E7A | 0.71 | |
SMN | (S)-MANDELIC ACID | A | 1MDL | 0.74 | |
BM6 | 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN- 2-YL]-BENZOIC ACID | A | 1MVC | 0.72 | |
BM6 | 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN- 2-YL]-BENZOIC ACID | A,C,E,G | 1MZN | 0.72 | |
FL2 | FLURBIPROFEN METHYL ESTER | A,B | 1HT5 | 0.74 | |
TON | 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL | A,B | 1SEZ | 0.72 | |
PYY | D-RIBOFURANOSYL-BENZENE-5'-MONOPHOSPHATE | A | 1G2J | 0.72 | |
OST | METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE | C,D,E | 1SQQ | 0.75 | |
NDH | (1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE | A,B | 1O7P | 0.72 | |
NPS | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | A | 2VDB | 0.71 | |
TRT | FRAGMENT OF TRITON X-100 | A,E | 2I0U | 0.73 | |
TRT | FRAGMENT OF TRITON X-100 | A,B | 1OIZ | 0.73 | |
689 | 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)- 6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON- 7-EN-2-YL]PHENOL | A,B | 1ZKY | 0.71 | |
EMF | ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate | A,B | 2QZZ | 0.71 | |
EMF | ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate | A,B | 2R2G | 0.71 | |
DFA | DIPHENYLACETIC ACID | A,B,C | 1GMY | 0.71 | |
IPB | 5-METHYL-2-(1-METHYLETHYL)PHENOL | A,B | 1E06 | 0.72 | |
OSB | 2-SUCCINYLBENZOATE | A | 1FHV | 0.7 | |
OSB | 2-SUCCINYLBENZOATE | A,B,C,D | 1SJB | 0.7 | |
OSB | 2-SUCCINYLBENZOATE | A,B | 2QVH | 0.7 | |
RMN | (R)-MANDELIC ACID | A | 1MDL | 0.74 | |
RMN | (R)-MANDELIC ACID | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 1MCZ | 0.74 | |
ZZ1 | 4-METHYL-2H-CHROMEN-2-ONE | A | 2CIP | 0.72 | |
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 | 0.71 | |
BGG | CARBONIC ACID MONOBENZYL ESTER | B,D | 1DLK | 0.82 | |
RSO | R-STYRENE OXIDE | A,B | 1PWZ | 0.82 | |
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 | |
HXS | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.7 | |
PPP | 3-PHENYL-1,2-PROPANDIOL | A,B | 1HRN | 0.71 | |
12M | (2-ETHYLPHENYL)METHANOL | A,B | 2F62 | 0.74 | |
2NA | naphthalen-2-ylmethanol | A,B,C | 3EE5 | 0.71 | |
FLP | FLURBIPROFEN | A,B,C,D | 3PGH | 0.71 | |
FLP | FLURBIPROFEN | A,B | 1CQE | 0.71 | |
FLP | FLURBIPROFEN | A,B | 1EQH | 0.71 | |
FLP | FLURBIPROFEN | A,B | 2AYL | 0.71 | |
FLP | FLURBIPROFEN | A | 1DVT | 0.71 | |
FLP | FLURBIPROFEN | A | 1R9O | 0.71 | |
T3O | 4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3- OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL | A,B | 2G44 | 0.73 | |
959 | benzyl (2-oxopropyl)carbamate | A | 3D62 | 0.72 | |
SS1 | 1-PHENYLETHANOL | H | 1UM5 | 0.76 | |
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 | 0.71 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | A,B | 1C1X | 0.71 | |
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 | 0.71 | |
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 | 0.71 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1QRP | 0.71 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | A | 2CTC | 0.71 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1E82 | 0.71 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1E81 | 0.71 | |
DBA | (2,6-DIMETHYL-PHENOXY)-ACETIC ACID | A,B | 1IDB | 0.74 | |
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 | |
OPH | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPM | 0.73 | |
OPH | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPL | 0.73 | |
BFL | A,B | 1Q4G | 0.73 | ||
OBZ | O-benzylhydroxylamine | A,B | 3DTH | 0.73 | |
OBZ | O-benzylhydroxylamine | A,B | 3DTG | 0.73 | |
L79 | (S)-(2E)-3[4-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL)TETRAHYDRO- 1-BENZOFURAN-2-YL]-2-PROPENOIC ACID | A,D | 1RDT | 0.77 | |
2PM | N-[2-(BENZHYDRYLOXY)ETHYL]-N,N- DIMETHYLAMINE | A,B | 2AOT | 0.76 | |
IBP | IBUPROFEN | A | 3FKX | 0.76 | |
IBP | IBUPROFEN | A,B | 2BXG | 0.76 | |
IBP | IBUPROFEN | A,B | 1EQG | 0.76 | |
IBP | IBUPROFEN | A,B,C | 2WD9 | 0.76 | |
IBP | IBUPROFEN | A | 2PWS | 0.76 | |
269 | (1R)-3-chloro-1-phenylpropan-1- ol | A | 2RBS | 0.7 | |
NIU | 6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE | A | 6UPJ | 0.74 | |
459 | 4-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)- 8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON- 7-EN-2-YL]PHENOL | A,B | 2FAI | 0.71 | |
4MA | 4-METHYLBENZOIC ACID | A,H | 2HRG | 0.72 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 2F4O | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KJO | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CDR | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C1E | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 5PAD | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | E,F | 1JXQ | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 2CNO | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1CGL | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZ9 | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2K | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 2CNL | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KJP | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2M | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZB | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 9HVP | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1ESB | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | E,F | 1DY8 | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 1PPM | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 1GEC | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KS7 | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | C | 1A8G | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KKK | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | T,U,V,W,X,Y | 1QDU | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 4TMN | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 5TMN | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KTO | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | A,C | 1TG1 | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZ8 | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 2G58 | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | Q,R,S,T,U,V | 1F9E | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CJY | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 1E8M | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KR6 | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 6TMN | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KRO | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CNN | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2O | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1SQZ | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1THE | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | I,J | 2AZC | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 5EST | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CNK | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KL6 | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 6PAD | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | B,I | 2C2Z | 0.83 | |
BZM | BENZOIC ACID PHENYLMETHYLESTER | A,B | 1DZM | 0.76 | |
CIN | 4-CARBOXYCINNAMIC ACID | A,B,C,D | 1HAB | 0.7 | |
CIN | 4-CARBOXYCINNAMIC ACID | A,B | 1T6J | 0.7 | |
SEM | 3-AMINO-4-OXYBENZYL-2-BUTANONE | A,B | 1THE | 0.73 |