Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01854255
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 |
APG![]() | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MRA | 0.73 | ![]() |
APG![]() | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MNS | 0.73 | ![]() |
APG![]() | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1DTN | 0.73 | ![]() |
APG![]() | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MDR | 0.73 | ![]() |
AN1![]() | 3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID | H,Y | 1LO3 | 0.71 | ![]() |
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 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A | 1OS0 | 0.78 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJI | 0.78 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJJ | 0.78 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2VS2 | 0.78 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 1OD1 | 0.78 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | E | 1EPR | 0.78 | ![]() |
KPV![]() | 5-PHENYL-2-KETO-VALERIC ACID | A,B | 2Q5Q | 0.73 | ![]() |
OST![]() | METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE | C,D,E | 1SQQ | 0.72 | ![]() |
BIP![]() | 2-BENZYL-3-IODOPROPANOIC ACID | A,B,C,D | 1BAV | 0.75 | ![]() |
BFL![]() | A,B | 1Q4G | 0.79 | ![]() | |
PHT![]() | PHTHALIC ACID | A,B,C | 2B7P | 0.71 | ![]() |
PHT![]() | PHTHALIC ACID | A | 3C2V | 0.71 | ![]() |
PHT![]() | PHTHALIC ACID | A,B,C,D,E,F | 1QPR | 0.71 | ![]() |
PHT![]() | PHTHALIC ACID | A,B | 3C2R | 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 | 0.74 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | A,B | 1C1X | 0.74 | ![]() |
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 | 0.74 | ![]() |
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 | 0.74 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1QRP | 0.74 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | A | 2CTC | 0.74 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1E82 | 0.74 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1E81 | 0.74 | ![]() |
NLA![]() | NAPHTHALEN-1-YL-ACETIC ACID | A,B,C,D | 1LRH | 0.76 | ![]() |
NLA![]() | NAPHTHALEN-1-YL-ACETIC ACID | B | 2P1O | 0.76 | ![]() |
M5P![]() | (S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID | A,B | 2YZ3 | 0.73 | ![]() |
24I![]() | (2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}PENTANEDIOIC ACID | A | 2C6C | 0.75 | ![]() |
173![]() | BENZOYL-FORMIC ACID | A,B | 1SZE | 0.7 | ![]() |
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 | ![]() |
BZS![]() | L-BENZYLSUCCINIC ACID | A | 1CBX | 0.76 | ![]() |
BZS![]() | L-BENZYLSUCCINIC ACID | A | 1HYT | 0.76 | ![]() |
BZS![]() | L-BENZYLSUCCINIC ACID | A,B | 1WHT | 0.76 | ![]() |
4MA![]() | 4-METHYLBENZOIC ACID | A,H | 2HRG | 0.71 | ![]() |
256![]() | PHENYL(SULFO)ACETIC ACID | A | 1O4Q | 0.71 | ![]() |
BTP![]() | 2-THIOMETHYL-3-PHENYLPROPANOIC ACID | A,B | 1JAO | 0.72 | ![]() |
FL2![]() | FLURBIPROFEN METHYL ESTER | A,B | 1HT5 | 0.73 | ![]() |
RMN![]() | (R)-MANDELIC ACID | A | 1MDL | 0.71 | ![]() |
RMN![]() | (R)-MANDELIC ACID | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 1MCZ | 0.71 | ![]() |
CIN![]() | 4-CARBOXYCINNAMIC ACID | A,B,C,D | 1HAB | 0.71 | ![]() |
CIN![]() | 4-CARBOXYCINNAMIC ACID | A,B | 1T6J | 0.71 | ![]() |
791![]() | 2-PHENYLMALONIC ACID | A | 1O4P | 0.79 | ![]() |
2HR![]() | HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER | X | 1YS1 | 0.76 | ![]() |
BNA![]() | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | I | 4ER1 | 0.71 | ![]() |
BNA![]() | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | A | 1FQ5 | 0.71 | ![]() |
PPT![]() | 3-(P-TOLYL)PROPIONIC ACID | A,B | 2AY4 | 0.76 | ![]() |
2HS![]() | HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER | X | 1YS2 | 0.76 | ![]() |
5PV![]() | 5-PHENYLVALERIC ACID | A,B | 2AY9 | 0.76 | ![]() |
PM3![]() | 2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID | A,L,M | 3FEA | 0.72 | ![]() |
PM3![]() | 2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID | P | 1CWD | 0.72 | ![]() |
PM3![]() | 2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID | L | 3FE7 | 0.72 | ![]() |
PM3![]() | 2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID | B | 2GV2 | 0.72 | ![]() |
PM3![]() | 2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID | B,D | 1CWE | 0.72 | ![]() |
ESO![]() | O3-PHOSPHONOESTRONE | B,C | 1ESS | 0.72 | ![]() |
GRO![]() | R-2-PHENYL-PROPRIONIC ACID | B | 1K5S | 0.82 | ![]() |
GRO![]() | R-2-PHENYL-PROPRIONIC ACID | B | 1KEC | 0.82 | ![]() |
GRO![]() | R-2-PHENYL-PROPRIONIC ACID | B | 1K7D | 0.82 | ![]() |
FLP![]() | FLURBIPROFEN | A,B,C,D | 3PGH | 0.76 | ![]() |
FLP![]() | FLURBIPROFEN | A,B | 1CQE | 0.76 | ![]() |
FLP![]() | FLURBIPROFEN | A,B | 1EQH | 0.76 | ![]() |
FLP![]() | FLURBIPROFEN | A,B | 2AYL | 0.76 | ![]() |
FLP![]() | FLURBIPROFEN | A | 1DVT | 0.76 | ![]() |
FLP![]() | FLURBIPROFEN | A | 1R9O | 0.76 | ![]() |
B08![]() | A,B | 2E99 | 0.71 | ![]() | |
IBP![]() | IBUPROFEN | A | 3FKX | 0.82 | ![]() |
IBP![]() | IBUPROFEN | A,B | 2BXG | 0.82 | ![]() |
IBP![]() | IBUPROFEN | A,B | 1EQG | 0.82 | ![]() |
IBP![]() | IBUPROFEN | A,B,C | 2WD9 | 0.82 | ![]() |
IBP![]() | IBUPROFEN | A | 2PWS | 0.82 | ![]() |
SMN![]() | (S)-MANDELIC ACID | A | 1MDL | 0.71 | ![]() |
CP5![]() | (2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}- 2-PHENYLACRYLATE | A | 1SCW | 0.8 | ![]() |
CPM![]() | S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE- S-METHANE | A | 1CPS | 0.71 | ![]() |
BEY![]() | (2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]- 2-benzylpropanoic acid | A | 3EBI | 0.74 | ![]() |
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 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | B | 1PNL | 0.78 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | B | 1K5Q | 0.78 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | B | 1FXH | 0.78 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | A | 2ISF | 0.78 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | A | 2INE | 0.78 | ![]() |
OSB![]() | 2-SUCCINYLBENZOATE | A | 1FHV | 0.73 | ![]() |
OSB![]() | 2-SUCCINYLBENZOATE | A,B,C,D | 1SJB | 0.73 | ![]() |
OSB![]() | 2-SUCCINYLBENZOATE | A,B | 2QVH | 0.73 | ![]() |
B28![]() | A,B | 2E9A | 0.71 | ![]() | |
ELI![]() | 6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID | A,B | 2GH5 | 0.72 | ![]() |
CLT![]() | 4-PHENYL-BUTANOIC ACID | A | 1THL | 0.76 | ![]() |
CLT![]() | 4-PHENYL-BUTANOIC ACID | A,B | 2AY7 | 0.76 | ![]() |
CLT![]() | 4-PHENYL-BUTANOIC ACID | E,I | 1TMN | 0.76 | ![]() |
PIC![]() | 6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE- 2-CARBOXYLIC ACID | A | 1BZJ | 0.72 | ![]() |
DFA![]() | DIPHENYLACETIC ACID | A,B,C | 1GMY | 0.78 | ![]() |
TRZ![]() | TRAZEOLIDE | A | 1C12 | 0.75 | ![]() |
IGL![]() | ALPHA-AMINO-2-INDANACETIC ACID | A | 1BDK | 0.73 | ![]() |