Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02841268
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 |
BBL | N-[(BENZYLOXY)CARBONYL]-L-ALANINE | A,I | 2H9H | 0.7 | |
BBL | N-[(BENZYLOXY)CARBONYL]-L-ALANINE | A,I | 2HAL | 0.7 | |
BBL | N-[(BENZYLOXY)CARBONYL]-L-ALANINE | A | 2A4O | 0.7 | |
BBL | N-[(BENZYLOXY)CARBONYL]-L-ALANINE | A,I | 2H6M | 0.7 | |
BBL | N-[(BENZYLOXY)CARBONYL]-L-ALANINE | A | 2CXV | 0.7 | |
R23 | METHYL-[4-(4-PIPERIDINE-1-YLMETHYL- PHENYL)-CYCLOHEXYL]-CARBAMINIC ACID- (4-CHLOROPHENYL)-ESTER | A,B,C | 1O79 | 0.72 | |
HTA | N-[3-(N'-HYDROXYCARBOXAMIDO)-2- (2-METHYLPROPYL)-PROPANOYL]-O-TYROSINE- N-METHYLAMIDE | A | 1FBL | 0.76 | |
ZHH | 2-(4-METHOXYPHENYL)ETHANAMINE | D,H | 2HKR | 0.82 | |
DRS | (9S,12S)-9-(1-methylethyl)-7,10- dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca- 1(16),14,17-triene-12-carboxylic acid | A,B | 3BXS | 0.74 | |
TXF | (Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}- 5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL | A,B,C,D,E | 2EWP | 0.71 | |
0EZ | tert-butyl [(1S,2S)-1-benzyl-2- hydroxy-3-{[(8S,11R)-8-[(1R)-1- methylpropyl]-7,10-dioxo-2-oxa- 6,9-diazabicyclo[11.2.2]heptadeca- 1(15),13,16-trien-11-yl]amino}propyl]carbamate | A,B | 1MTR | 0.72 | |
ZHZ | 2-(4-METHOXYPHENYL)ACETAMIDE | D,H | 2HKR | 0.77 | |
TAX | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINIUM | A | 1FJ5 | 0.76 | |
NLT | N-DODECANOYL-L-TYROSINE | A,B,C,D,E,F, G,H | 2G0B | 0.71 | |
HA2 | 6-[{(2S)-2-AMINO-3-[4-(BENZYLOXY)PHENYL]PROPYL}(HYDROXY)AMINO]- 6-OXOHEXANOIC ACID) | A | 2VJ8 | 0.74 | |
OHT | 4-HYDROXYTAMOXIFEN | A | 3ERT | 0.72 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B | 1S9Q | 0.72 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B | 1VJB | 0.72 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B,C,P,R | 2JF9 | 0.72 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B,C,D,E,F | 2GPV | 0.72 | |
OHT | 4-HYDROXYTAMOXIFEN | A | 2GPU | 0.72 | |
OHT | 4-HYDROXYTAMOXIFEN | A | 2P7Z | 0.72 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B | 2BJ4 | 0.72 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B | 2FSZ | 0.72 | |
505 | (2R)-1-(2,6-dimethylphenoxy)propan- 2-amine | A | 2VIN | 0.73 | |
4SR | (4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN- 2-ONE | A,B | 1XN0 | 0.71 | |
FOS | [[N-(BENZYLOXYCARBONYL)AMINO]METHYL]PHOSPHATE | A | 1BLH | 0.72 | |
FOS | [[N-(BENZYLOXYCARBONYL)AMINO]METHYL]PHOSPHATE | A | 1AXB | 0.72 | |
C27 | (6R)-2-amino-6-[2-(3'-methoxybiphenyl- 3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin- 4(3H)-one | A | 2VA7 | 0.7 | |
AEH | 4-(2-aminoethyl)-2-ethylphenol | A | 3BUG | 0.72 | |
DRR | A,B | 3BXR | 0.72 | ||
2NI | N-{2-[(4'-CYANO-1,1'-BIPHENYL-4- YL)OXY]ETHYL}-N'-HYDROXY-N-METHYLUREA | A | 1ZP5 | 0.72 | |
ROL | ROLIPRAM | A,B,C,D | 1OYN | 0.71 | |
ROL | ROLIPRAM | A,B | 1XMY | 0.71 | |
ROL | ROLIPRAM | A,B,C,D | 1Q9M | 0.71 | |
ROL | ROLIPRAM | A,B | 1RO6 | 0.71 | |
ROL | ROLIPRAM | A,B | 1XN0 | 0.71 | |
ROL | ROLIPRAM | A,B | 1TBB | 0.71 | |
NBL | N2-[(BENZYLOXY)CARBONYL]-N1-[(3S)- 1-CYANOPYRROLIDIN-3-YL]-L-LEUCINAMIDE | A | 1YK7 | 0.7 | |
PZM | 1-(4-METHOXYPHENYL)METHANAMINE | A,D,H | 2HJB | 0.79 | |
ZFB | (3R)-3-{[(BENZYLOXY)CARBONYL]AMINO}- 2-OXO-4-PHENYLBUTANE-1-DIAZONIUM | A,B,C,D | 1PVJ | 0.73 | |
ZYA | BENZOYL-TYROSINE-ALANINE-METHYL KETONE | A | 1AIM | 0.74 | |
4CR | (1R)-4-({[ETHYL(METHYL)AMINO]CARBONYL}OXY)- N-METHYL-N-[(1E)-PROP-2-EN-1-YLIDENE]INDAN- 1-AMINIUM | A,B | 2C65 | 0.75 | |
MR1 | 1-(1,3-BENZODIOXOL-5-YL)METHANAMINE | A | 2ORQ | 0.7 | |
11N | 1-[1'-(3-phenylacryloyl)spiro[1- benzofuran-3,4'-piperidin]-5-yl]methanamine | A,B,C,D | 2ZEC | 0.7 | |
2TN | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2OTF | 0.74 | |
2TN | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2NUV | 0.74 | |
2TN | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2OUB | 0.74 | |
F1I | N-[1-(2,6-dimethoxybenzyl)piperidin- 4-yl]-4-sulfanylbutanamide | A | 2ZJI | 0.71 | |
CMQ | N~2~-[(BENZYLOXY)CARBONYL]-N-[(1S,2S)- 2-HYDROXY-1-(4-HYDROXYBENZYL)PROPYL]- L-LEUCINAMIDE | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2FZS | 0.73 | |
ZZ1 | 4-METHYL-2H-CHROMEN-2-ONE | A | 2CIP | 0.72 | |
ABY | N-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)- L-CYSTEINYLGLYCINE | A,B | 1PL2 | 0.73 | |
ABY | N-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)- L-CYSTEINYLGLYCINE | A,B | 1PL1 | 0.73 | |
BHP | (S)-5-(4-BENZYLOXY-PHENYL)-4-(7- PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID | A,B | 1J1A | 0.72 | |
959 | benzyl (2-oxopropyl)carbamate | A | 3D62 | 0.78 | |
Y12 | 4-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP- 1-EN-1-YL}-1,2-PHENYLENE DIACETATE | A | 2EW5 | 0.77 | |
AHT | 4-(2,5-DIAMINO-5-HYDROXY-PENTYL)- PHENOL | I,T | 1TMB | 0.72 | |
RFX | (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWV | 0.79 | |
296 | (3R)-3-amino-2,2-difluoro-3-(4- methoxyphenyl)propanoic acid | A,B | 2RJS | 0.73 | |
5RM | (5R)-5-(4-methoxy-3-propoxyphenyl)- 5-methyl-1,3-oxazolidin-2-one | A,B | 1XM6 | 0.76 | |
FIL | (1E)-1-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]ETHANONE O- (AMINOCARBONYL)OXIME | A,B | 1XLZ | 0.71 | |
SFX | (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWW | 0.79 | |
PI6 | [1-BENZYL-3-(8-SEC-BUTYL-7,10-DIOXO- 2-OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA- 1(16),13(17),14-TRIEN-11-YLAMINO)- 2-HYDROXY-PROPYL] -CARBAMIC ACID TERT- BUTYL ESTER | A,B | 1B6M | 0.72 | |
CTX | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINE | A,B,C | 1YA4 | 0.74 | |
AEF | 4-(2-aminoethyl)phenol | A | 3BRA | 0.72 | |
HV7 | 1-METHYLAMINE-2-HYDROXY-4-METHOXY- BENZENE | C | 1A8G | 0.72 | |
MTJ | N,O-DIMETHYL-L-TYROSINE | A,B | 1ATL | 0.79 | |
C18 | 7-[(3-CHLOROBENZYL)OXY]-4-[(METHYLAMINO)METHYL]- 2H-CHROMEN-2-ONE | A,B | 2V61 | 0.7 | |
C1N | N-[(BENZYLOXY)CARBONYL]LEUCYL-N~1~- [3-FLUORO-1-(4-HYDROXYBENZYL)-2- OXOPROPYL]LEUCINAMIDE | A | 1ZCM | 0.72 | |
ZRA | BENZOYL-ARGININE-ALANINE-METHYL KETONE | A | 2AIM | 0.71 | |
AEG | 4-[(2R)-2-aminopropyl]phenol | A | 3BUF | 0.72 | |
ANM | ANISOMYCIN | 1,2,4,A,B,C, D,E,J,K,L,M, N,O,P,R,S,T, U,V,Z | 1K73 | 0.75 | |
ANM | ANISOMYCIN | 0,1,3,9,A,B, C,F,H,J,K,L, M,N,O,Q,R,S, T,U,Y,Z | 3CC4 | 0.75 |