Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00665314
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 | ![]() |
SBX![]() | 1-CYCLOHEXYL-3-PHENYL-1-PROPYL- 1-(3,3-DIMETHYL-1,2-DIOXYPENTYL)- 2-PIPERIDINE CARBOXYLATE | A | 1FKH | 0.71 | ![]() |
IAM![]() | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY5 | 0.72 | ![]() |
IAM![]() | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY8 | 0.72 | ![]() |
IAM![]() | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY9 | 0.72 | ![]() |
IAM![]() | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XXZ | 0.72 | ![]() |
IAM![]() | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY4 | 0.72 | ![]() |
IAM![]() | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY6 | 0.72 | ![]() |
821![]() | A | 1O43 | 0.7 | ![]() | |
NPG![]() | N-SUCCINYL PHENYLGLYCINE | A,B,C,D | 1SJD | 0.71 | ![]() |
MPQ![]() | N-METHYL-ALPHA-PHENYL-GLYCINE | D | 1D6E | 0.72 | ![]() |
BNN![]() | ACETYL-P-AMIDINOPHENYLALANINE | 2,3,4 | 8KME | 0.7 | ![]() |
BNN![]() | ACETYL-P-AMIDINOPHENYLALANINE | H,I,J | 7KME | 0.7 | ![]() |
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 | ![]() |
FRF![]() | PHE-REDUCED-PHE | A,I | 1GVX | 0.7 | ![]() |
MRT![]() | (5R,9S,12S,15S,18S,21S)-21-benzyl- 12,18-bis(carboxymethyl)-15-cyclohexyl- 1-(9H-fluoren-9-yl)-4-methyl-9- (2-methylpropyl)-3,6,10,13,16,19- hexaoxo-5-phenyl-2-oxa-4,8,11,14,17,20- hexaazadocosan-22-oic acid | A | 2ZLG | 0.73 | ![]() |
VAC![]() | N,N-BIS(2-HYDROXY-1-INDANYL)-2,6- DIPHENYLMETHYL-4-HYDROXY-1,7-HEPTANDIAMIDE | B | 4PHV | 0.7 | ![]() |
ING![]() | D-[(AMINO)CARBONYL]PHENYLALANINE | A,B | 1UF8 | 0.72 | ![]() |
ING![]() | D-[(AMINO)CARBONYL]PHENYLALANINE | A,B,D,E | 1HDU | 0.72 | ![]() |
LHY![]() | L-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINE | A,B,D,E | 1HEE | 0.71 | ![]() |
CT1![]() | (1R)-2-METHYL-1-(PHENYLMETHYL)PROPYL[(1S)- 1-FORMYLPENTYL]CARBAMATE | A | 2AUX | 0.7 | ![]() |
TIN![]() | A,B | 1N94 | 0.71 | ![]() | |
U11![]() | METHYL N-{(2S,3R)-3-AMINO-2-HYDROXY- 3-[4-(TRIFLUOROMETHYL)PHENYL]PROPANOYL}ALANYLGLYCINATE | A | 2GG0 | 0.71 | ![]() |
FEX![]() | A | 1OSH | 0.7 | ![]() | |
RPR![]() | A | 1F0U | 0.73 | ![]() | |
RPR![]() | A | 1EZQ | 0.73 | ![]() | |
U16![]() | METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY- 3-(4-ISOPROPYLPHENYL)PROPANOYL]- D-ALANYL-D-LEUCINATE | A | 2GG9 | 0.75 | ![]() |
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 | 0.71 | ![]() |
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 | 0.71 | ![]() |
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 | 0.71 | ![]() |
BAV![]() | (3S,14R,16S)-16-[(1R)-1-hydroxy- 2-{[3-(1-methylethyl)benzyl]amino}ethyl]- 3,4,14-trimethyl-1,4-diazacyclohexadecane- 2,5-dione | A,B,C | 3DV5 | 0.71 | ![]() |
TR1![]() | 2-(2-{2-[(BIPHENYL-4-YLMETHYL)- AMINO]-3-MERCAPTO-PENTANOYLAMINO}- ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER | A,B | 1C8T | 0.74 | ![]() |
TR1![]() | 2-(2-{2-[(BIPHENYL-4-YLMETHYL)- AMINO]-3-MERCAPTO-PENTANOYLAMINO}- ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER | A,B | 1C3I | 0.74 | ![]() |
PH0![]() | N-{(2S)-3-[(R)-[(1R)-1-amino-2- phenylethyl](hydroxy)phosphoryl]- 2-benzylpropanoyl}-L-phenylalanine | A | 2R59 | 0.71 | ![]() |
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 | 0.76 | ![]() |
CST![]() | [[PHENYLALANINE-CARBONYL-AMINO- 2-(2-AMINO-1,4,5,6-TETRAHYDRO-PYRIMIDIN- 4-YL)-1-ACETALDEHYDYL]-2-ISOBUTYL- GLYCYL]PHENYLALANINE | A,B | 1BCS | 0.71 | ![]() |
CST![]() | [[PHENYLALANINE-CARBONYL-AMINO- 2-(2-AMINO-1,4,5,6-TETRAHYDRO-PYRIMIDIN- 4-YL)-1-ACETALDEHYDYL]-2-ISOBUTYL- GLYCYL]PHENYLALANINE | A | 1SGC | 0.71 | ![]() |
RUP![]() | (R)-2-(3-ADAMANTAN-1-YL-UREIDO)- 3-(3-CARBAMIMIDOYL-PHENYL)-N-PHENETHYL- PROPIONAMIDE | A | 1KYE | 0.76 | ![]() |
U15![]() | METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY- 3-(4-METHYLPHENYL)PROPANOYL]-D- ALANYL-D-LEUCINATE | A | 2GG8 | 0.74 | ![]() |
HOP![]() | (1S,2S,5S)2-(4-GLUTARIDYLBENZYL)- 5-PHENYL-1-CYCLOHEXANOL | H,L | 1D6V | 0.71 | ![]() |
HOP![]() | (1S,2S,5S)2-(4-GLUTARIDYLBENZYL)- 5-PHENYL-1-CYCLOHEXANOL | A,B,H,L | 1AXS | 0.71 | ![]() |
CHY![]() | CHYMOSTATIN | A,B | 1M21 | 0.7 | ![]() |
CHY![]() | CHYMOSTATIN | A,B | 1WVM | 0.7 | ![]() |
INF![]() | D-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINE | A | 1HDQ | 0.71 | ![]() |
KAF![]() | N-{(5S)-4,4-dihydroxy-6-phenyl- 5-[(phenylcarbonyl)amino]hexanoyl}- L-phenylalanine | A | 3BKK | 0.72 | ![]() |
BNH![]() | [(N-{3-[(N-{CYCLOHEXYL[(ISOBUTOXYCARBONYL)AMINO]ACETYL}- 3-CYCLOPROPYLALANYL)AMINO]-4-CYCLOPROPYL- 2-OXOBUTANOYL}GLYCYL)AMINO](PHENYL)ACETIC ACID | A,C | 2A4R | 0.72 | ![]() |
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 | 0.72 | ![]() |
Y15![]() | N-[(1S)-2-{[(1R)-2-(benzyloxy)- 1-cyano-1-methylethyl]amino}-1- (cyclohexylmethyl)-2-oxoethyl]morpholine- 4-carboxamide | A,B | 2R9O | 0.71 | ![]() |
FRG![]() | 2-[3-METHYL-4-(N-METHYL-GUANIDINO)- BUTYRYLAMINO]-3-(4-PHENYLETHYNYL- PHENYL)-PROPIONIC ACID METHYL ESTER | A,B | 1M48 | 0.75 | ![]() |
Y14![]() | N-[(1S)-2-{[(3S)-1-benzyl-3-cyanopyrrolidin- 3-yl]amino}-1-(cyclohexylmethyl)- 2-oxoethyl]morpholine-4-carboxamide | A,B | 2R9N | 0.71 | ![]() |
ZYZ![]() | (4-{(2S)-2-[(tert-butoxycarbonyl)amino]- 3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid | A | 3D9C | 0.74 | ![]() |