Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01725515
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 |
M1N | (1R)-3-METHYL-1-{[N-(MORPHOLIN- 4-YLCARBONYL)-3-(1-NAPHTHYL)-D- ALANYL]AMINO}BUTYLBORONIC ACID | 2,C,E,G,H,J, L,N,P,R,T,V, X,Z | 2FHH | 0.71 | |
EBW | 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}- 3-OXOPENTYL)-N,N-DIMETHYL-N-PROP- 2-ENYLBENZENAMINIUM | A | 1E3Q | 0.75 | |
TTT | 5-amino-2-methyl-N-[(1R)-1-naphthalen- 1-ylethyl]benzamide | A | 3E9S | 0.71 | |
X23 | (3S,6S,7R,9aS)-6-{[(2S)-2-aminobutanoyl]amino}- 7-(aminomethyl)-N-(diphenylmethyl)- 5-oxooctahydro-1H-pyrrolo[1,2-a]azepine- 3-carboxamide | A,B,C,D,E,F, G,H,I,J | 3CM2 | 0.74 | |
HPQ | HOMOPHENYLALANINYLMETHANE | B | 1EWP | 0.75 | |
KR2 | (2R)-4-(2-BENZOYL-1,2-DIAZEPAN- 1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN- 2-AMINE | A,B | 2OLE | 0.72 | |
872 | (3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]- 3-(2,2,2-TRIFLUOROETHYL)-1,4-DIAZEPAN- 2-ONE | A,B | 2IIT | 0.72 | |
FRF | PHE-REDUCED-PHE | A,I | 1GVX | 0.72 | |
23U | beta-phenyl-D-phenylalanyl-N-(3- chlorobenzyl)-L-prolinamide | H,I | 3DHK | 0.7 | |
53U | D-phenylalanyl-N-benzyl-L-prolinamide | H,I | 2ZFF | 0.77 | |
OIR | N-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINE | A | 1R1J | 0.72 | |
IPP | (P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACID | A,B | 1BLS | 0.7 | |
32U | D-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}- L-prolinamide | H,I | 2ZDA | 0.7 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY5 | 0.7 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY8 | 0.7 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY9 | 0.7 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XXZ | 0.7 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY4 | 0.7 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY6 | 0.7 | |
44U | beta-phenyl-D-phenylalanyl-N-propyl- L-prolinamide | B,D | 3DA9 | 0.82 | |
DFM | N-ACETYL-L-PHENYLALANYL-4-[DIFLUORO(PHOSPHONO)METHYL]- L-PHENYLALANINAMIDE | A | 2CMC | 0.75 | |
SRD | D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID | B,C | 4VGC | 0.73 | |
IPO | PARA-IODO-D-PHENYLALANINE HYDROXAMIC ACID | A | 1IGB | 0.72 | |
DI3 | AC-(D)PHE-PRO-BORO-N-BUTYL-AMIDINO- GLYCINE-OH | H | 1LHE | 0.72 | |
DI2 | AC-(D)PHE-PRO-BOROLYS-OH | H | 1LHD | 0.77 | |
BIR | N-[3-[(1-AMINOETHYL)(HYDROXY)PHOSPHORYL]- 2-(1,1'-BIPHENYL-4-YLMETHYL)PROPANOYL]ALANINE | A | 1R1H | 0.72 | |
BIR | N-[3-[(1-AMINOETHYL)(HYDROXY)PHOSPHORYL]- 2-(1,1'-BIPHENYL-4-YLMETHYL)PROPANOYL]ALANINE | L | 3B7R | 0.72 | |
605 | 4'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl- 3-carboxamide | A,B | 3D4L | 0.75 | |
R01 | (4'-{[ALLYL(METHYL)AMINO]METHYL}- 1,1'-BIPHENYL-4-YL)(4-BROMOPHENYL)METHANONE | A,B,C | 1H35 | 0.7 | |
DP7 | AC-(D)PHE-PRO-BOROARG-OH | H | 1LHC | 0.72 | |
FPB | N-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN- 2-YL}METHYL)BENZAMIDE | A,B | 2BUB | 0.73 | |
S27 | N-[[2-METHYL-4-HYDROXYCARBAMOYL]BUT- 4-YL-N]-BENZYL-P-[PHENYL]-P-[METHYL]PHOSPHINAMID | A,B | 1B3D | 0.73 | |
DI4 | AC-(D)PHE-PRO-BOROHOMOLYS-OH | H | 1LHF | 0.77 | |
5FH | (5S)-5-benzylimidazolidine-2,4- dione | A | 2JLO | 0.7 | |
PZQ | PRAZIQUANTEL | A | 1GTB | 0.73 | |
SP8 | N-{(1S)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNS | 0.75 | |
SRB | L-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID | B,C | 3VGC | 0.73 | |
U1N | 4-[(3R)-3-{[2-(4-FLUOROPHENYL)- 2-OXOETHYL]AMINO}BUTYL]BENZAMIDE | A,B | 2OGZ | 0.77 | |
CPU | A,B | 1CR6 | 0.72 | ||
IZD | ISOTHIAZOLIDINONE ANALOG | A | 2CM7 | 0.73 | |
KEL | N-[(2R)-2-benzyl-4-(hydroxyamino)- 4-oxobutanoyl]-L-alanine | X | 3B7U | 0.71 | |
DPK | DEPRENYL | A,B | 2BYB | 0.73 | |
F1H | N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide | A | 2ZJH | 0.72 | |
F25 | 4-(1R,3AS,4R,8AS,8BR)-[1-DIFLUOROMETHYL- 2-(4-FLUOROBENZYL)-3-OXODECAHYDROPYRROLO[3,4- A]PYRROLIZIN-4-YL]BENZAMIDINE | H | 2CN0 | 0.7 | |
PHM | PHENYLALANYLMETHANE | A,I | 1PJP | 0.75 | |
PHM | PHENYLALANYLMETHANE | A,B,C | 2J9J | 0.75 | |
PHM | PHENYLALANYLMETHANE | A,B,C | 2JE4 | 0.75 | |
PHA | PHENYLALANINAL | A,B | 1OB2 | 0.73 | |
PHA | PHENYLALANINAL | V,Y,Z | 2WDG | 0.73 | |
PHA | PHENYLALANINAL | V,Y,Z | 2WDK | 0.73 | |
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 | 0.73 | |
PHA | PHENYLALANINAL | P | 3SGA | 0.73 | |
PHA | PHENYLALANINAL | A,B,C,D,E,F | 1OB5 | 0.73 | |
PHA | PHENYLALANINAL | V,Y,Z | 2WDM | 0.73 | |
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 | 0.73 | |
PHA | PHENYLALANINAL | A,B | 1KDV | 0.73 | |
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 | 0.73 | |
PHA | PHENYLALANINAL | A,B | 1KDY | 0.73 | |
PHA | PHENYLALANINAL | V,Y,Z | 3FIC | 0.73 | |
PHA | PHENYLALANINAL | V,Y,Z | 2WDH | 0.73 | |
PHA | PHENYLALANINAL | A,B | 1KE2 | 0.73 | |
DI5 | AC-(D)PHE-PRO-BOROHOMOORNITHINE- OH | H | 1LHG | 0.76 | |
FAF | 2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1- FORMYL-2-PHENYL-ETHYL)-AMIDE | B,C | 1GGD | 0.76 | |
N4T | (1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5- DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO- 1H-PYRROL-1-YL]-2-OXOETHANAMINE | A,B | 2FL2 | 0.73 | |
BCC | 6-AMINO-6-BENZYL-5-OXO-OCTAHYDRO- INDOLIZINE-3-CARBALDEHYDE | H,I,R | 1B5G | 0.73 | |
Q50 | {(1S)-1-BENZYL-4-[3-CARBAMOYL-1- (1-CARBAMOYL-2-PHENYL-ETHYLCARBAMOYL)- (S)-PROPYLCARBAMOYL]-2-OXO-5-PHENYL- PENTYL}-CARBAMIC ACID TERT-BUTYL ESTER | A,B | 1IZI | 0.72 | |
Q50 | {(1S)-1-BENZYL-4-[3-CARBAMOYL-1- (1-CARBAMOYL-2-PHENYL-ETHYLCARBAMOYL)- (S)-PROPYLCARBAMOYL]-2-OXO-5-PHENYL- PENTYL}-CARBAMIC ACID TERT-BUTYL ESTER | B | 1IZH | 0.72 | |
L18 | (2S)-1-methyl-2-[(2S,4R)-2-methyl- 4-phenylpentyl]piperidine | A | 2JJG | 0.74 | |
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 | |
DFJ | N-({4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}ACETYL)- L-PHENYLALANYL-4-[DIFLUORO(PHOSPHONO)METHYL]- L-PHENYLALANINAMIDE | A | 2CNE | 0.71 | |
37U | D-phenylalanyl-N-(3-fluorobenzyl)- L-prolinamide | H,I | 2ZDV | 0.75 | |
PLH | METHYLAMINO-PHENYLALANYL-LEUCYL- HYDROXAMIC ACID | A | 1HFC | 0.76 | |
PLH | METHYLAMINO-PHENYLALANYL-LEUCYL- HYDROXAMIC ACID | A | 1MNC | 0.76 | |
PSS | ETHYLAMINOBENZYLMETHYLCARBONYL GROUP | A | 1EAG | 0.76 | |
SP9 | N-{(1R)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNT | 0.75 | |
998 | N-METHYLALANYL-3-METHYLVALYL-N- (1,2,3,4-TETRAHYDRONAPHTHALEN-1- YL)PROLINAMIDE | A | 1TFQ | 0.76 | |
565 | (3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]- 3-METHYL-1,4-DIAZEPAN-2-ONE | A,B | 2IIV | 0.74 | |
876 | N-ACETYL-N-[1-(1,1'-BIPHENYL-4- YLMETHYL)-2-OXOAZEPAN-3-YL]-3,4- DIPHOSPHONOPHENYLALANINAMIDE | A | 1O4B | 0.72 | |
JNH | 1-[2-(S)-AMINO-3-BIPHENYL-4-YL- PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE | I,J | 2AJL | 0.84 | |
22U | D-phenylalanyl-N-(3-chlorobenzyl)- L-prolinamide | H,I | 2ZC9 | 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 | |
4PI | N-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINE | A,B | 2NSD | 0.77 | |
HBC | (2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT- 2-YL)-PHENYL-METHANONE | H | 1JGU | 0.71 | |
GK5 | N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)- 6-methylbiphenyl-3,4'-dicarboxamide | A | 3D7Z | 0.76 | |
I06 | 2-PHENETHYL-2,3-DIHYDRO-PHTHALAZINE- 1,4-DIONE | D,E,F,G,H,L, M,N,O,P | 1EEF | 0.71 | |
NAM | NAM NAPTHYLAMINOALANINE | A,B,I,J | 3FIV | 0.78 | |
NAM | NAM NAPTHYLAMINOALANINE | A,B,I,J | 2FIV | 0.78 | |
002 | N-[(2R)-2-BENZYL-4-(HYDROXYAMINO)- 4-OXOBUTANOYL]-L-ISOLEUCYL-L-LEUCINE | A,B | 2FV9 | 0.7 | |
DHQ | 3,4-DIHYDRO-5-METHYL-ISOQUINOLINONE | A | 1PAX | 0.71 | |
1PC | 1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE | B,C | 2PCP | 0.71 | |
BIC | 3-AMINO-3-BENZYL-9-CARBOXAMIDE[4.3.0]BICYCLO- 1,6-DIAZANONAN-2-ONE | H,I | 1A5G | 0.71 | |
BIC | 3-AMINO-3-BENZYL-9-CARBOXAMIDE[4.3.0]BICYCLO- 1,6-DIAZANONAN-2-ONE | H,I | 1A46 | 0.71 | |
BIC | 3-AMINO-3-BENZYL-9-CARBOXAMIDE[4.3.0]BICYCLO- 1,6-DIAZANONAN-2-ONE | H,I | 1A61 | 0.71 | |
27U | N-(4-carbamimidoylbenzyl)-1-(3- phenylpropanoyl)-L-prolinamide | H,I | 2ZHQ | 0.7 | |
MIN | METHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINE | H,I | 1TOM | 0.79 | |
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 | |
51U | D-phenylalanyl-N-(3-methylbenzyl)- L-prolinamide | H,I | 2ZF0 | 0.78 | |
SMK | (3S,6S,7R,9aS)-6-{[(2S)-2-aminobutanoyl]amino}- 7-(2-aminoethyl)-N-(diphenylmethyl)- 5-oxooctahydro-1H-pyrrolo[1,2-a]azepine- 3-carboxamide | A,B | 3EYL | 0.74 | |
822 | N-ACETYL-N-[1-(1,1'-BIPHENYL-4- YLMETHYL)-2-OXOAZEPAN-3-YL]-4-[DIFLUORO(PHOSPHONO)METHYL]PHENYLALANINAMIDE | A | 1O47 | 0.71 | |
PPB | 1-{[1-(2-AMINO-3-PHENYL-PROPIONYL)- PYRROLIDINE-2-CARBONYL]-AMINO}- 2-(3-CYANO-PHENYL)-ETHANEBORONIC ACID | A | 1AUJ | 0.75 | |
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 | 0.82 | |
TTX | TENTOXIN | B | 1KMH | 0.7 | |
BR4 | 6-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)- HEXANOIC ACID | A | 1KQU | 0.77 | |
FPA | 1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDE | E,I | 4EST | 0.7 | |
APF | 1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN- 2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE) | B,C | 1GG6 | 0.74 | |
APF | 1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN- 2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE) | G | 6GCH | 0.74 | |
HIN | (2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL- CHLOROETHYLKETONE | B | 2GMT | 0.75 | |
008 | (S)-2-[(R)-3-AMINO-4-(2-FLUORO- PHENYL)-BUTYRYL]-1,2,3,4-TETRAHYDRO- ISOQUINOLINE-3-CARBOXYLIC ACID AMIDE | A,B,C,D | 2BUC | 0.73 | |
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 | 0.74 |