Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02125001
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 |
FR1 | 2-[4-[[(S)-1-[[(S)-2-[[(RS)-3,3,3- TRIFLUORO-1-ISOPROPYL-2-OXOPROPYL]AMINOCARBONYL]PYRROLIDIN- 1-YL-]CARBONYL]-2-METHYLPROPYL]AMINOCARBONYL]BENZOYLAMINO]ACETIC ACID | N | 1MMJ | 0.7 | |
ZAE | N-methyl-D-phenylalanine | H,I,R | 1TBZ | 0.74 | |
MN7 | 1-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENE | N | 1NLO | 0.74 | |
KAF | N-{(5S)-4,4-dihydroxy-6-phenyl- 5-[(phenylcarbonyl)amino]hexanoyl}- L-phenylalanine | A | 3BKK | 0.81 | |
4BA | 4-[(2-CARBOXY-ETHYLAMINO)-METHYL]- BENZOIC ACID | C | 1FAV | 0.74 | |
KY1 | 4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID | A,B,C,D | 2CH2 | 0.71 | |
ICX | methyl N-[(5Z)-6-({[4-(4-iodobenzyl)phenyl]carbonyl}amino)hex- 5-enoyl]glycinate | A,C,D,E,G,P, Q,R,W | 3CWB | 0.71 | |
NPG | N-SUCCINYL PHENYLGLYCINE | A,B,C,D | 1SJD | 0.76 | |
BNH | [(N-{3-[(N-{CYCLOHEXYL[(ISOBUTOXYCARBONYL)AMINO]ACETYL}- 3-CYCLOPROPYLALANYL)AMINO]-4-CYCLOPROPYL- 2-OXOBUTANOYL}GLYCYL)AMINO](PHENYL)ACETIC ACID | A,C | 2A4R | 0.71 | |
SX5 | 4-[(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin- 1-yl]carbonyl}phenyl)amino]-4-oxobutanoic acid | A,B | 3CJ4 | 0.7 | |
U1N | 4-[(3R)-3-{[2-(4-FLUOROPHENYL)- 2-OXOETHYL]AMINO}BUTYL]BENZAMIDE | A,B | 2OGZ | 0.73 | |
HU2 | (2S)-({N-[(3S)-3-({N-[(2S,4E)-2- ISOPROPYL-7-METHYLOCT-4-ENOYL]- L-LEUCYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID | A,C | 2OC1 | 0.74 | |
LZQ | 4-[3-(dibenzylamino)phenyl]-2,4- dioxobutanoic acid | A | 3EB1 | 0.71 | |
FRF | PHE-REDUCED-PHE | A,I | 1GVX | 0.78 | |
DPN | D-PHENYLALANINE | P | 1MCS | 0.7 | |
DPN | D-PHENYLALANINE | A | 1GOE | 0.7 | |
DPN | D-PHENYLALANINE | A | 2RM9 | 0.7 | |
DPN | D-PHENYLALANINE | A | 1SOC | 0.7 | |
DPN | D-PHENYLALANINE | B,C,E,F | 1SFQ | 0.7 | |
DPN | D-PHENYLALANINE | I | 1ABJ | 0.7 | |
DPN | D-PHENYLALANINE | P | 1DWE | 0.7 | |
DPN | D-PHENYLALANINE | I,M | 1HLT | 0.7 | |
DPN | D-PHENYLALANINE | A,H,L | 1J9C | 0.7 | |
DPN | D-PHENYLALANINE | I,T | 1TMB | 0.7 | |
DPN | D-PHENYLALANINE | A | 2JRY | 0.7 | |
DPN | D-PHENYLALANINE | A | 2SOC | 0.7 | |
DPN | D-PHENYLALANINE | A | 2YYF | 0.7 | |
DPN | D-PHENYLALANINE | I | 2HGT | 0.7 | |
DPN | D-PHENYLALANINE | A,D | 2Q3I | 0.7 | |
DPN | D-PHENYLALANINE | A,P | 1MCD | 0.7 | |
DPN | D-PHENYLALANINE | P | 1HAO | 0.7 | |
DPN | D-PHENYLALANINE | A,B,I | 1Z8J | 0.7 | |
DPN | D-PHENYLALANINE | A,B,C | 2PGQ | 0.7 | |
DPN | D-PHENYLALANINE | C,D,H,I,L,M, X,Y | 1DVA | 0.7 | |
DPN | D-PHENYLALANINE | P | 1NRR | 0.7 | |
DPN | D-PHENYLALANINE | I | 1PPB | 0.7 | |
DPN | D-PHENYLALANINE | C,D,G,H | 1NU7 | 0.7 | |
DPN | D-PHENYLALANINE | I | 2HPP | 0.7 | |
DPN | D-PHENYLALANINE | B,C | 2OD3 | 0.7 | |
DPN | D-PHENYLALANINE | A | 1B0Q | 0.7 | |
DPN | D-PHENYLALANINE | B,C,E,F | 1NU9 | 0.7 | |
DPN | D-PHENYLALANINE | A,B,I | 1Z8I | 0.7 | |
DPN | D-PHENYLALANINE | H,I,J | 1TMU | 0.7 | |
DPN | D-PHENYLALANINE | A,B,C,D,E,F | 2DNS | 0.7 | |
DPN | D-PHENYLALANINE | A | 1GO9 | 0.7 | |
DPN | D-PHENYLALANINE | B,C,E,F | 1A0H | 0.7 | |
DPN | D-PHENYLALANINE | P | 1MCF | 0.7 | |
DPN | D-PHENYLALANINE | A | 2RME | 0.7 | |
DPN | D-PHENYLALANINE | H,I | 1TMT | 0.7 | |
DPN | D-PHENYLALANINE | I | 1ABI | 0.7 | |
DPN | D-PHENYLALANINE | R | 1NRQ | 0.7 | |
DPN | D-PHENYLALANINE | B,C,F,G | 2A1D | 0.7 | |
DPN | D-PHENYLALANINE | A,B | 2Q33 | 0.7 | |
DPN | D-PHENYLALANINE | C,H,L | 1DAN | 0.7 | |
DPN | D-PHENYLALANINE | P | 1MCE | 0.7 | |
DPN | D-PHENYLALANINE | B,C,E,F | 2A45 | 0.7 | |
DPN | D-PHENYLALANINE | A | 2RMI | 0.7 | |
DPN | D-PHENYLALANINE | A,B,I | 1TQ7 | 0.7 | |
DPN | D-PHENYLALANINE | A | 1W7M | 0.7 | |
DPN | D-PHENYLALANINE | P | 1HAP | 0.7 | |
DPN | D-PHENYLALANINE | A,B | 1ORF | 0.7 | |
DPN | D-PHENYLALANINE | I | 1IHS | 0.7 | |
DPN | D-PHENYLALANINE | P | 1MCC | 0.7 | |
DPN | D-PHENYLALANINE | A | 2RMD | 0.7 | |
DPN | D-PHENYLALANINE | A | 2JQB | 0.7 | |
DPN | D-PHENYLALANINE | I | 2HPQ | 0.7 | |
DPN | D-PHENYLALANINE | C,E,F | 1SHH | 0.7 | |
DPN | D-PHENYLALANINE | A,I | 1CVR | 0.7 | |
DPN | D-PHENYLALANINE | L,P | 1AUT | 0.7 | |
DPN | D-PHENYLALANINE | P | 1MCI | 0.7 | |
DPN | D-PHENYLALANINE | H,I | 3F6U | 0.7 | |
DPN | D-PHENYLALANINE | A | 1BFW | 0.7 | |
DPN | D-PHENYLALANINE | H,I | 1HAI | 0.7 | |
DPN | D-PHENYLALANINE | B,C | 2THF | 0.7 | |
DPN | D-PHENYLALANINE | I | 1IHT | 0.7 | |
DPN | D-PHENYLALANINE | A,P | 1MCJ | 0.7 | |
DPN | D-PHENYLALANINE | A | 1TKH | 0.7 | |
DPN | D-PHENYLALANINE | C,H,L,T | 2FIR | 0.7 | |
DPN | D-PHENYLALANINE | A | 2FMZ | 0.7 | |
DPN | D-PHENYLALANINE | A | 1YL9 | 0.7 | |
DPN | D-PHENYLALANINE | I | 1HUT | 0.7 | |
DPN | D-PHENYLALANINE | I | 1FXY | 0.7 | |
DPN | D-PHENYLALANINE | A | 1YL8 | 0.7 | |
DPN | D-PHENYLALANINE | C,H,L | 1QFK | 0.7 | |
DPN | D-PHENYLALANINE | P | 1MCB | 0.7 | |
R01 | (4'-{[ALLYL(METHYL)AMINO]METHYL}- 1,1'-BIPHENYL-4-YL)(4-BROMOPHENYL)METHANONE | A,B,C | 1H35 | 0.74 | |
PME | N-L-ALPHA-ASPARTYL L-PHENYLALANINE 1- METHYL ESTER | H,L | 1A8J | 0.71 | |
PG9 | D-PHENYLGLYCINE | A,B,G,H | 10GS | 0.72 | |
PG9 | D-PHENYLGLYCINE | A,B,C,D | 2B4K | 0.72 | |
BJP | (1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID | A | 1ERO | 0.72 | |
HOP | (1S,2S,5S)2-(4-GLUTARIDYLBENZYL)- 5-PHENYL-1-CYCLOHEXANOL | H,L | 1D6V | 0.73 | |
HOP | (1S,2S,5S)2-(4-GLUTARIDYLBENZYL)- 5-PHENYL-1-CYCLOHEXANOL | A,B,H,L | 1AXS | 0.73 | |
BR4 | 6-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)- HEXANOIC ACID | A | 1KQU | 0.71 | |
TIN | A,B | 1N94 | 0.71 | ||
3XH | 3-Hydroxyhippuric acid | A | 3E9K | 0.7 | |
S17 | methyl 4-bromo-N-[8-(hydroxyamino)- 8-oxooctanoyl]-L-phenylalaninate | A,B,C,D | 2VCG | 0.76 | |
YC2 | N-{[(1S)-1-carboxy-5-{[(4-iodophenyl)carbonyl]amino}pentyl]carbamoyl}- L-glutamic acid | A | 3D7H | 0.73 | |
4AF | 4-ACETYL-L-PHENYLALANINE | A | 1ZH6 | 0.75 | |
HMF | 2-AMINO-4-PHENYL-BUTYRIC ACID | I,J | 1AY6 | 0.7 | |
FNH | (2R)-({N-[(3S)-3-({[(3S,6S)-6-CYCLOHEXYL- 5,8-DIOXO-4,7-DIAZABICYCLO[14.3.1]ICOSA- 1(20),16,18-TRIEN-3-YL]CARBONYL}AMINO)- 2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID | A,C | 2A4Q | 0.74 | |
HPE | HOMOPHENYLALANINE | A,B | 1B1H | 0.7 | |
ING | D-[(AMINO)CARBONYL]PHENYLALANINE | A,B | 1UF8 | 0.71 | |
ING | D-[(AMINO)CARBONYL]PHENYLALANINE | A,B,D,E | 1HDU | 0.71 | |
NDF | N-(CARBOXYCARBONYL)-D-PHENYLALANINE | A | 1YCI | 0.72 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B,C,D | 1SN9 | 0.74 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B | 1SNE | 0.74 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B,C,D | 1SNA | 0.74 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B | 1XOF | 0.74 | |
MPQ | N-METHYL-ALPHA-PHENYL-GLYCINE | D | 1D6E | 0.76 | |
NDL | N-BENZOYL-L-NORLEUCYL-L-LYSYL-L- ARGINYL-L-ARGININE | B | 2FP7 | 0.7 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY5 | 0.76 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY8 | 0.76 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY9 | 0.76 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XXZ | 0.76 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY4 | 0.76 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY6 | 0.76 | |
ARQ | BENZOYLAMINO-BENZYL-METHYL-[2-HYDROXY- 3-[1-METHYL-ETHYL-OXY-N-FORMAMIDYL]- 4-PHENYL-BUTYL]-AMMONIUM | A | 3AID | 0.71 | |
BIF | (R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID | G,M,P,S | 1YYL | 0.71 | |
BIF | (R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID | G,M,P,S | 2I5Y | 0.71 | |
HPI | N-(1-CARBOXY-3-PHENYLPROPYL)PHENYLALANYL- ALPHA-ASPARAGINE | A | 1U4G | 0.76 | |
S2D | N-BENZOYL-D-ALANINE | A,B | 2JCI | 0.77 | |
PBF | PARA-(BENZOYL)-PHENYLALANINE | A | 2FR9 | 0.78 | |
PBF | PARA-(BENZOYL)-PHENYLALANINE | A,B | 1EEN | 0.78 | |
PBF | PARA-(BENZOYL)-PHENYLALANINE | A | 2HGZ | 0.78 | |
PBF | PARA-(BENZOYL)-PHENYLALANINE | A | 2FRB | 0.78 | |
3B4 | 2-(cyclohexylamino)benzoic acid | A,B | 3B4P | 0.7 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A,B | 2ZOF | 0.71 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 2HPT | 0.71 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 1TXR | 0.71 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 1XRY | 0.71 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 2EK9 | 0.71 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 1HS6 | 0.71 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 2DQM | 0.71 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 3EBH | 0.71 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 1GW6 | 0.71 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A,B | 2ZOG | 0.71 | |
4BF | 4-BROMO-L-PHENYLALANINE | A | 2AG6 | 0.78 | |
AJH | 4-({4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]- 1,4-diazepan-1-yl}carbonyl)benzoic acid | A,B | 3EIO | 0.71 | |
MEA | N-METHYLPHENYLALANINE | A | 2PIL | 0.74 | |
MEA | N-METHYLPHENYLALANINE | A,B,C,D | 1H0I | 0.74 | |
MEA | N-METHYLPHENYLALANINE | A,B,I | 1DOJ | 0.74 | |
KEU | N-{4-[(1R)-4-[(2R,4R,5S)-2,4-DIAMINO- 6-OXOHEXAHYDROPYRIMIDIN-5-YL]-1- (2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYL)BUTYL]BENZOYL}- D-GLUTAMIC ACID | A,B | 1NJS | 0.7 | |
KEU | N-{4-[(1R)-4-[(2R,4R,5S)-2,4-DIAMINO- 6-OXOHEXAHYDROPYRIMIDIN-5-YL]-1- (2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYL)BUTYL]BENZOYL}- D-GLUTAMIC ACID | A,B,C,D | 1RBY | 0.7 | |
KEU | N-{4-[(1R)-4-[(2R,4R,5S)-2,4-DIAMINO- 6-OXOHEXAHYDROPYRIMIDIN-5-YL]-1- (2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYL)BUTYL]BENZOYL}- D-GLUTAMIC ACID | A,B,C,D | 1RBQ | 0.7 | |
KYN | KYNURENINE | A,B,C,D | 2R2N | 0.74 | |
KYN | KYNURENINE | A,B | 3E2Z | 0.74 | |
KYN | KYNURENINE | A | 1XT7 | 0.74 | |
KYN | KYNURENINE | A | 1T5M | 0.74 | |
KYN | KYNURENINE | A | 1T5N | 0.74 | |
KYN | KYNURENINE | A | 2VOV | 0.74 | |
KYN | KYNURENINE | A | 2VOX | 0.74 | |
AAA | (2-ACETYL-5-METHYLANILINO)(2,6- DIBROMOPHENYL)ACETAMIDE | A | 1HNI | 0.72 | |
BFS | N-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDE | A | 1STD | 0.73 | |
BFS | N-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDE | A,B,C | 4STD | 0.73 |