Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00453519
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 |
MX5 | {1-[4-(3,4-DIHYDROQUINOLIN-1(2H)- YL)-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID | B,I | 2C2Z | 0.76 | |
YC2 | N-{[(1S)-1-carboxy-5-{[(4-iodophenyl)carbonyl]amino}pentyl]carbamoyl}- L-glutamic acid | A | 3D7H | 0.7 | |
AHC | 4-AMINOHYDROCINNAMIC ACID | A,B | 2AY1 | 0.72 | |
EOT | [(1-[(BIS-CARBOXYMETHYL-AMINO)- METHYL]-2-{4-[3-(2-HYDROXY-ETHYL)- THIOUREIDO]-PHENY}-ETHYL)-CARBOXYMETHYL- AMINO]-ACETIC ACID | H | 1INE | 0.84 | |
EOT | [(1-[(BIS-CARBOXYMETHYL-AMINO)- METHYL]-2-{4-[3-(2-HYDROXY-ETHYL)- THIOUREIDO]-PHENY}-ETHYL)-CARBOXYMETHYL- AMINO]-ACETIC ACID | H | 1IND | 0.84 | |
FON | FOLINIC ACID | A,B | 1QD1 | 0.7 | |
FON | FOLINIC ACID | A,B | 2BLN | 0.7 | |
FON | FOLINIC ACID | A,B,C,D | 1VRQ | 0.7 | |
FON | FOLINIC ACID | A,B | 1KL2 | 0.7 | |
FON | FOLINIC ACID | A,B | 1XZQ | 0.7 | |
BC1 | 3-{[(9-CYANO-9,10-DIHYDRO-10-METHYLACRIDIN- 9-YL)CARBONYL]AMINO}PROPANOIC ACID | H,Y | 1LO0 | 0.71 | |
CBL | CHLORAMBUCIL | A,B | 3CSJ | 0.72 | |
K7I | L-alanyl-N-[(1S,2R)-1-benzyl-2- hydroxypropyl]-L-alaninamide | A,B | 2QXG | 0.7 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A | 1U1J | 0.7 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 2OGY | 0.7 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1XPG | 0.7 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1TLS | 0.7 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B,C | 1ZP4 | 0.7 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 2E7F | 0.7 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A | 1TSN | 0.7 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 2IDK | 0.7 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1XR2 | 0.7 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A | 1B02 | 0.7 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1Q8J | 0.7 | |
NPG | N-SUCCINYL PHENYLGLYCINE | A,B,C,D | 1SJD | 0.71 | |
WRG | N~2~-acetyl-N~5~-[N-(methylcarbamoyl)carbamimidoyl]- L-ornithyl-N-methyl-L-phenylalanine | A,B | 3CHD | 0.71 | |
529 | (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL- 3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN- 1-YL)PHENYL]PROPANAMIDE | A,C,D | 2BPM | 0.7 | |
MPQ | N-METHYL-ALPHA-PHENYL-GLYCINE | D | 1D6E | 0.72 | |
DHF | DIHYDROFOLIC ACID | A,B,C,D,E | 3DL5 | 0.71 | |
DHF | DIHYDROFOLIC ACID | A | 1LCB | 0.71 | |
DHF | DIHYDROFOLIC ACID | A,B,C,D | 1MXH | 0.71 | |
DHF | DIHYDROFOLIC ACID | A | 2RK1 | 0.71 | |
DHF | DIHYDROFOLIC ACID | A | 1RF7 | 0.71 | |
DHF | DIHYDROFOLIC ACID | A,B,C,D,E | 3DL6 | 0.71 | |
DHF | DIHYDROFOLIC ACID | A | 1TYS | 0.71 | |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.73 | |
MX3 | (1-{4-[BENZYL(METHYL)AMINO]-4-OXOBUTANOYL}HYDRAZINO)ACETIC ACID | I | 2C2O | 0.7 | |
LIZ | N-{(1S,2S)-2-[bis(carboxymethyl)amino]cyclohexyl}- N-{(2R)-2-[bis(carboxymethyl)amino]- 3-[4-({[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]carbamothioyl}amino)phenyl]propyl}glycine | A,B | 3DSZ | 0.81 | |
ING | D-[(AMINO)CARBONYL]PHENYLALANINE | A,B | 1UF8 | 0.77 | |
ING | D-[(AMINO)CARBONYL]PHENYLALANINE | A,B,D,E | 1HDU | 0.77 | |
NDF | N-(CARBOXYCARBONYL)-D-PHENYLALANINE | A | 1YCI | 0.71 | |
ZAE | N-methyl-D-phenylalanine | H,I,R | 1TBZ | 0.72 | |
009 | (4S)-1,4-dibenzyl-N-[(1S,2R)-1- benzyl-3-{[3-(dimethylamino)benzyl]amino}- 2-hydroxypropyl]-2-oxoimidazolidine- 4-carboxamide | A,B,C | 3CKR | 0.72 | |
ENT | 3(R)-METHYLCARBAMOYL-7-SULFOAMINO- 3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT- BUTYL ESTER | A | 2F6Y | 0.71 | |
IS2 | [(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID | A | 1O4J | 0.73 | |
TYX | S-(2-ANILINO-2-OXOETHYL)-L-CYSTEINE | A | 2PQT | 0.76 | |
BSU | 1,3-DIPHENYLUREA | A | 3E85 | 0.71 | |
BSU | 1,3-DIPHENYLUREA | A | 2ZJF | 0.71 | |
INF | D-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINE | A | 1HDQ | 0.75 | |
MC2 | N2-(L-PHENYLALANYL)-N1-(NAPHTHALENYL)- L-ARIGNINAMIDE | A | 1T9Y | 0.72 | |
SM1 | N-(BENZYLSULFONYL)-D-SERYL-N-(4- {[AMINO(IMINO)METHYL]AMINO}BENZYL)- L-ALANINAMIDE | U | 1W13 | 0.75 | |
W22 | [(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro- 1H-1,4-benzodiazepin-2-yl]acetic acid | A,B | 2WKW | 0.79 | |
THG | (6S)-5,6,7,8-TETRAHYDROFOLATE | A,B | 1KZI | 0.7 | |
THG | (6S)-5,6,7,8-TETRAHYDROFOLATE | A | 1M7Z | 0.7 | |
THG | (6S)-5,6,7,8-TETRAHYDROFOLATE | A | 3BHR | 0.7 | |
THG | (6S)-5,6,7,8-TETRAHYDROFOLATE | A | 3GSI | 0.7 | |
THG | (6S)-5,6,7,8-TETRAHYDROFOLATE | A | 1M7V | 0.7 | |
THG | (6S)-5,6,7,8-TETRAHYDROFOLATE | A,B | 3BHL | 0.7 | |
THG | (6S)-5,6,7,8-TETRAHYDROFOLATE | A | 1U22 | 0.7 | |
INH | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE | A | 1SLN | 0.82 | |
INH | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE | A | 2SRT | 0.82 | |
INH | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE | A | 3BG8 | 0.82 | |
I84 | [2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)- BENZENESULFONYL]-GLYCINE | A | 1EKO | 0.71 | |
I84 | [2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)- BENZENESULFONYL]-GLYCINE | A | 1EL3 | 0.71 | |
D5G | (2S)-4-METHYL-2-(3-PHENYLTHIOUREIDO)- N-((3S)-TETRAHYDRO-2-HYDROXY-3- FURANYL)PENTANAMIDE | A | 2G8E | 0.76 | |
DOE | (S)-2-(4-(2-(2-HYDROXYETHYLTHIO)- ACETAMIDO)-BENZYL)-1,4,7,10-TETRAAZACYCLODODECANE- N,N',N'',N'''-TETRAACETATE | A,B,C,D | 1NC2 | 0.77 | |
CIU | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A,B | 1EK1 | 0.75 | |
CIU | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A | 1VJ5 | 0.75 | |
SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | B,H | 1UB5 | 0.75 | |
SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | A,B,H,L | 3CFB | 0.75 | |
SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | B,H | 3CFD | 0.75 | |
SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | A,L | 1FL3 | 0.75 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY5 | 0.73 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY8 | 0.73 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY9 | 0.73 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XXZ | 0.73 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY4 | 0.73 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY6 | 0.73 | |
SC5 | 2-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)- 1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE- 1,1-DIOL | H | 1YNK | 0.83 | |
FG1 | N-[4-(2-{2-[3-(2-BROMO-ACETYLAMINO)- PROPIONYLAMINO]-3-HYDROXY-PROPIONYLAMINO}- ETHYL)-PHENYL]-OXALAMIC ACID | A | 1NWE | 0.8 | |
TNS | A,B,L | 2G2R | 0.7 | ||
J54 | (2R)-3-{[(BENZYLAMINO)CARBONYL]AMINO}- 2-HYDROXYPROPANOIC ACID | A | 2V35 | 0.74 | |
LHY | L-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINE | A,B,D,E | 1HEE | 0.75 | |
DOF | (S)-2-(4-NITROBENZYL)-1,4,7,10- TETRAAZACYCLODODECANE-N,N',N'',N'''- TETRAACETATE | A,B,C,D | 1NC4 | 0.72 | |
APE | (1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACID | E,I | 1SCN | 0.7 | |
HAQ | 5-AMINO-4-OXO-1,2,4,5,6,7-HEXAHYDRO- AZEPINO[3,2,1-HI]INDOLE-2-CARBOXYLIC ACID | D | 1D5X | 0.7 | |
GA0 | GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDE | A | 2DCM | 0.73 | |
PNC | PARA-NITROBENZYL GLUTARYL GLYCINIC ACID | L | 1YEF | 0.79 | |
BAN | HONH-BENZYLMALONYL-L-ALANYLGLYCINE- P-NITROANILIDE | A | 5TLN | 0.71 | |
MN2 | 1-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENE | N | 1NLO | 0.73 | |
BNN | ACETYL-P-AMIDINOPHENYLALANINE | 2,3,4 | 8KME | 0.71 | |
BNN | ACETYL-P-AMIDINOPHENYLALANINE | H,I,J | 7KME | 0.71 | |
MEA | N-METHYLPHENYLALANINE | A | 2PIL | 0.72 | |
MEA | N-METHYLPHENYLALANINE | A,B,C,D | 1H0I | 0.72 | |
MEA | N-METHYLPHENYLALANINE | A,B,I | 1DOJ | 0.72 | |
4DP | 3-[5-(DIMETHYLAMINO)-1,3-DIOXO- 1,3-DIHYDRO-2H-ISOINDOL-2-YL]-L- ALANINE | C | 2IPK | 0.72 | |
AGB | N-(1-ADAMANTYL)-N'-(4-GUANIDINOBENZYL)UREA | A | 1EJN | 0.72 | |
NOX | N-(PARA-GLUTARAMIDOPHENYL-ETHYL)- PIPERIDINIUM-N-OXIDE | L | 35C8 | 0.76 | |
B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3F06 | 0.72 | |
B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3EZP | 0.72 | |
B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A | 3EW8 | 0.72 | |
B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3EZT | 0.72 | |
B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A | 1T67 | 0.72 | |
PPN | PARA-NITROPHENYLALANINE | I | 1YTJ | 0.72 | |
MU0 | (5S)-N-[(1S,2S,4S)-1-BENZYL-2-HYDROXY- 4-{[(2S)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN- 1(2H)-YL)BUTANOYL]AMINO}-5-PHENYLPENTYL]- 2-OXO-3-PHENYL-1,3-OXAZOLIDINE- 5-CARBOXAMIDE | A,B | 2Q55 | 0.71 | |
GEP | N-METHYL-N-(PARA-GLUTARAMIDOPHENYL- ETHYL)-PIPERIDINIUM ION | L | 25C8 | 0.79 | |
FOE | 2-(2-AMINO-3-OXO-PROPYLSULFANYL)- N-(4-FLUORO-PHENYL)-N-ISOPROPYL- ACETAMIDE | B | 1BX9 | 0.76 | |
KEL | N-[(2R)-2-benzyl-4-(hydroxyamino)- 4-oxobutanoyl]-L-alanine | X | 3B7U | 0.72 | |
LO1 | [[4-(AMINOMETHYL)PHENYL]AMINO]OXO- ACETIC ACID, | A | 1WAX | 0.86 | |
26B | O-tert-butyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen- 2-yl)carbonyl]-L-threonine | A,B | 3DDS | 0.71 | |
A26 | 2-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL- PHENYL)-BUTYRAMIDE | A | 1TV5 | 0.71 | |
A26 | 2-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL- PHENYL)-BUTYRAMIDE | A | 1D3H | 0.71 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B,C,D | 1SN9 | 0.7 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B | 1SNE | 0.7 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B,C,D | 1SNA | 0.7 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B | 1XOF | 0.7 | |
THL | N-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8- HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]- L-GLUTAMIC ACID | A | 3G5R | 0.72 | |
THL | N-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8- HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]- L-GLUTAMIC ACID | A | 1WOO | 0.72 | |
UN6 | (3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]- METHYL}-PHENYL)-SULFAMIC ACID | A | 2F70 | 0.71 | |
GAS | B,H | 1ETZ | 0.79 | ||
GAS | H | 2CGR | 0.79 | ||
S2D | N-BENZOYL-D-ALANINE | A,B | 2JCI | 0.74 | |
LZ6 | L-gamma-glutamyl-S-(2-{[4-(3-carboxypropyl)phenyl](2- chloroethyl)amino}ethyl)-L-cysteinylglycine | A,B,C,D | 3CSI | 0.71 | |
LZ6 | L-gamma-glutamyl-S-(2-{[4-(3-carboxypropyl)phenyl](2- chloroethyl)amino}ethyl)-L-cysteinylglycine | A,B | 3CSH | 0.71 | |
TI1 | [2(R,S)-2-SULFANYLHEPTANOYL]-PHE- ALA | A | 1R1I | 0.71 | |
TI1 | [2(R,S)-2-SULFANYLHEPTANOYL]-PHE- ALA | A | 1QF1 | 0.71 | |
1C2 | 3(S)-METHYLCARBAMOYL-7-SULFOAMINO- 3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT- BUTYL ESTER | A | 2F6T | 0.71 |