Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02346838
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 |
BP4 | BIPHENYL-4-YL-ACETALDEHYDE | A,B,E,F,G,H | 1MHW | 0.71 | |
V36 | L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID | B,C | 1VGC | 0.71 | |
DI2 | AC-(D)PHE-PRO-BOROLYS-OH | H | 1LHD | 0.74 | |
FPB | N-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN- 2-YL}METHYL)BENZAMIDE | A,B | 2BUB | 0.7 | |
BNF | N-BENZYLFORMAMIDE | A,B | 1U3U | 0.73 | |
MEA | N-METHYLPHENYLALANINE | A | 2PIL | 0.71 | |
MEA | N-METHYLPHENYLALANINE | A,B,C,D | 1H0I | 0.71 | |
MEA | N-METHYLPHENYLALANINE | A,B,I | 1DOJ | 0.71 | |
1LP | TRANYLCYPROMINE | A,B | 1OJB | 0.71 | |
SP8 | N-{(1S)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNS | 0.77 | |
DI4 | AC-(D)PHE-PRO-BOROHOMOLYS-OH | H | 1LHF | 0.74 | |
DFM | N-ACETYL-L-PHENYLALANYL-4-[DIFLUORO(PHOSPHONO)METHYL]- L-PHENYLALANINAMIDE | A | 2CMC | 0.73 | |
PSS | ETHYLAMINOBENZYLMETHYLCARBONYL GROUP | A | 1EAG | 0.78 | |
SRB | L-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID | B,C | 3VGC | 0.78 | |
OIR | N-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINE | A | 1R1J | 0.7 | |
419 | N-[(3aR,6S,6aS)-1-(N-methyl-L-alanyl- 3-methyl-L-valyl)octahydrocyclopenta[b]pyrrol- 6-yl]-2,2-diphenylacetamide | A,B | 3F7H | 0.77 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | E,F,G,H | 1NJU | 0.73 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | Y,Z | 1JQ7 | 0.73 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | C | 1NKM | 0.73 | |
U1N | 4-[(3R)-3-{[2-(4-FLUOROPHENYL)- 2-OXOETHYL]AMINO}BUTYL]BENZAMIDE | A,B | 2OGZ | 0.74 | |
BIF | (R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID | G,M,P,S | 1YYL | 0.7 | |
BIF | (R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID | G,M,P,S | 2I5Y | 0.7 | |
HBC | (2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT- 2-YL)-PHENYL-METHANONE | H | 1JGU | 0.7 | |
5FH | (5S)-5-benzylimidazolidine-2,4- dione | A | 2JLO | 0.73 | |
4FP | 4-(4-FLUOROBENZYL)PIPERIDINE | A | 2OHN | 0.71 | |
CPU | A,B | 1CR6 | 0.74 | ||
NAM | NAM NAPTHYLAMINOALANINE | A,B,I,J | 3FIV | 0.76 | |
NAM | NAM NAPTHYLAMINOALANINE | A,B,I,J | 2FIV | 0.76 | |
IPO | PARA-IODO-D-PHENYLALANINE HYDROXAMIC ACID | A | 1IGB | 0.72 | |
BAC | N-(4-IODO-BENZYL)-FORMAMIDE | A,B,C,D | 2WPO | 0.71 | |
53U | D-phenylalanyl-N-benzyl-L-prolinamide | H,I | 2ZFF | 0.74 | |
PLH | METHYLAMINO-PHENYLALANYL-LEUCYL- HYDROXAMIC ACID | A | 1HFC | 0.74 | |
PLH | METHYLAMINO-PHENYLALANYL-LEUCYL- HYDROXAMIC ACID | A | 1MNC | 0.74 | |
HPQ | HOMOPHENYLALANINYLMETHANE | B | 1EWP | 0.77 | |
998 | N-METHYLALANYL-3-METHYLVALYL-N- (1,2,3,4-TETRAHYDRONAPHTHALEN-1- YL)PROLINAMIDE | A | 1TFQ | 0.73 | |
PEA | 2-PHENYLETHYLAMINE | A,B,E,F,G,H | 1MHW | 0.7 | |
PEA | 2-PHENYLETHYLAMINE | A | 1TNJ | 0.7 | |
PEA | 2-PHENYLETHYLAMINE | D,H | 2HKM | 0.7 | |
PEA | 2-PHENYLETHYLAMINE | A | 1UTO | 0.7 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6Y | 0.7 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6Z | 0.7 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6U | 0.7 | |
PEA | 2-PHENYLETHYLAMINE | A | 1UTM | 0.7 | |
SRD | D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID | B,C | 4VGC | 0.78 | |
JNH | 1-[2-(S)-AMINO-3-BIPHENYL-4-YL- PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE | I,J | 2AJL | 0.79 | |
CRP | ((1RS,3SR)-2,2-DICHLORO-N-[(R)- 1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL- 3-METHYLCYCLOPROPANECARBOXAMIDE | A | 2STD | 0.73 | |
CRP | ((1RS,3SR)-2,2-DICHLORO-N-[(R)- 1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL- 3-METHYLCYCLOPROPANECARBOXAMIDE | A,B,C | 7STD | 0.73 | |
DHQ | 3,4-DIHYDRO-5-METHYL-ISOQUINOLINONE | A | 1PAX | 0.77 | |
DI5 | AC-(D)PHE-PRO-BOROHOMOORNITHINE- OH | H | 1LHG | 0.74 | |
44U | beta-phenyl-D-phenylalanyl-N-propyl- L-prolinamide | B,D | 3DA9 | 0.79 | |
GK5 | N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)- 6-methylbiphenyl-3,4'-dicarboxamide | A | 3D7Z | 0.75 | |
BJP | (1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID | A | 1ERO | 0.7 | |
BIR | N-[3-[(1-AMINOETHYL)(HYDROXY)PHOSPHORYL]- 2-(1,1'-BIPHENYL-4-YLMETHYL)PROPANOYL]ALANINE | A | 1R1H | 0.7 | |
BIR | N-[3-[(1-AMINOETHYL)(HYDROXY)PHOSPHORYL]- 2-(1,1'-BIPHENYL-4-YLMETHYL)PROPANOYL]ALANINE | L | 3B7R | 0.7 | |
KEL | N-[(2R)-2-benzyl-4-(hydroxyamino)- 4-oxobutanoyl]-L-alanine | X | 3B7U | 0.71 | |
605 | 4'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl- 3-carboxamide | A,B | 3D4L | 0.71 | |
BI6 | (3S,6S,7Z,10AS)-N-(DIPHENYLMETHYL)- 6-{[(2S)-2-(METHYLIDENEAMINO)BUTANOYL]AMINO}- 5-OXO-1,2,3,5,6,9,10,10A-OCTAHYDROPYRROLO[1,2- A]AZOCINE-3-CARBOXAMIDE | A | 2JK7 | 0.7 | |
KHA | 1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)- 1-METHYLPIPERIDINIUM | H,L,X,Y | 1UWG | 0.71 | |
APF | 1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN- 2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE) | B,C | 1GG6 | 0.78 | |
APF | 1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN- 2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE) | G | 6GCH | 0.78 | |
FAF | 2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1- FORMYL-2-PHENYL-ETHYL)-AMIDE | B,C | 1GGD | 0.76 | |
51U | D-phenylalanyl-N-(3-methylbenzyl)- L-prolinamide | H,I | 2ZF0 | 0.75 | |
PPB | 1-{[1-(2-AMINO-3-PHENYL-PROPIONYL)- PYRROLIDINE-2-CARBONYL]-AMINO}- 2-(3-CYANO-PHENYL)-ETHANEBORONIC ACID | A | 1AUJ | 0.72 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 2BTJ | 0.78 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D,E,F | 2EFX | 0.78 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 2VVJ | 0.78 | |
NFA | PHENYLALANINE AMIDE | A | 2A4O | 0.78 | |
NFA | PHENYLALANINE AMIDE | A,B | 1XAE | 0.78 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 2OGR | 0.78 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 1QA7 | 0.78 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 2GW4 | 0.78 | |
PHA | PHENYLALANINAL | A,B | 1OB2 | 0.74 | |
PHA | PHENYLALANINAL | V,Y,Z | 2WDG | 0.74 | |
PHA | PHENYLALANINAL | V,Y,Z | 2WDK | 0.74 | |
PHA | PHENYLALANINAL | 1,2,4,5,A,B, C,D,E,J,K,L, M,N,O,P,R,S, T,U,V,Z | 1M90 | 0.74 | |
PHA | PHENYLALANINAL | P | 3SGA | 0.74 | |
PHA | PHENYLALANINAL | A,B,C,D,E,F | 1OB5 | 0.74 | |
PHA | PHENYLALANINAL | V,Y,Z | 2WDM | 0.74 | |
PHA | PHENYLALANINAL | 0,2,4,9,A,B, C,H,I,J,K,L, M,N,P,Q,R,S, T,X,Y,Z | 1KQS | 0.74 | |
PHA | PHENYLALANINAL | A,B | 1KDV | 0.74 | |
PHA | PHENYLALANINAL | 1,2,4,5,6,A, B,C,D,E,J,K, L,M,N,O,P,R, S,T,U,V,Z | 1Q86 | 0.74 | |
PHA | PHENYLALANINAL | A,B | 1KDY | 0.74 | |
PHA | PHENYLALANINAL | V,Y,Z | 3FIC | 0.74 | |
PHA | PHENYLALANINAL | V,Y,Z | 2WDH | 0.74 | |
PHA | PHENYLALANINAL | A,B | 1KE2 | 0.74 | |
M25 | N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE | A,B | 2NMX | 0.7 | |
M25 | N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE | A | 2NNS | 0.7 | |
IZD | ISOTHIAZOLIDINONE ANALOG | A | 2CM7 | 0.71 | |
EOA | N-PHENETHYL-FORMAMIDE | H,I | 1A5G | 0.76 | |
NFP | 3-AMINO-5-PHENYLPENTANE | A | 1MEM | 0.71 | |
NFP | 3-AMINO-5-PHENYLPENTANE | A,D,E | 1FH0 | 0.71 | |
BR4 | 6-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)- HEXANOIC ACID | A | 1KQU | 0.74 | |
V35 | D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID | B,C | 2VGC | 0.71 | |
F1H | N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide | A | 2ZJH | 0.7 | |
4PI | N-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINE | A,B | 2NSD | 0.75 | |
FPA | 1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDE | E,I | 4EST | 0.77 | |
271 | N-methyl-1-phenylmethanamine | X | 2RBT | 0.72 | |
37U | D-phenylalanyl-N-(3-fluorobenzyl)- L-prolinamide | H,I | 2ZDV | 0.72 | |
007 | 1-METHYLAMINE-1-BENZYL-CYCLOPENTANE | A,B,C,D | 2BUA | 0.75 | |
B2Y | 1-biphenyl-2-ylmethanamine | A,B,C,D | 3CCB | 0.71 | |
LPF | 1,1,1-TRIFLUORO-3-((N-ACETYL)-L- LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N- ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE) | G | 7GCH | 0.75 | |
SP9 | N-{(1R)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNT | 0.77 | |
TIO | (2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)- GLYCINE | E | 1ZDP | 0.72 | |
565 | (3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]- 3-METHYL-1,4-DIAZEPAN-2-ONE | A,B | 2IIV | 0.72 | |
PHM | PHENYLALANYLMETHANE | A,I | 1PJP | 0.77 | |
PHM | PHENYLALANYLMETHANE | A,B,C | 2J9J | 0.77 | |
PHM | PHENYLALANYLMETHANE | A,B,C | 2JE4 | 0.77 | |
MIN | METHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINE | H,I | 1TOM | 0.76 | |
HIN | (2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL- CHLOROETHYLKETONE | B | 2GMT | 0.75 | |
ZAE | N-methyl-D-phenylalanine | H,I,R | 1TBZ | 0.71 | |
IPP | (P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACID | A,B | 1BLS | 0.8 |