Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01622392
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 |
S2D | N-BENZOYL-D-ALANINE | A,B | 2JCI | 0.71 | |
SKA | 7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINE | A,B | 1YZ3 | 0.73 | |
744 | (3S)-N-(5-CHLORO-2-METHYLPHENYL)- 1-CYCLOHEXYL-5-OXOPYRROLIDINE-3- CARBOXAMIDE | A | 2H7N | 0.75 | |
GVQ | (2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINE | A | 2UW8 | 0.74 | |
CLB | D-PARA-CHLOROPHENYL-1-ACETAMIDOBORONIC ACID ALANINE | A | 1VSB | 0.76 | |
C2A | 1-(3-CHLOROPHENYL)METHANAMINE | B,I | 2C8Z | 0.71 | |
KHA | 1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)- 1-METHYLPIPERIDINIUM | H,L,X,Y | 1UWG | 0.7 | |
CPU | A,B | 1CR6 | 0.73 | ||
23U | beta-phenyl-D-phenylalanyl-N-(3- chlorobenzyl)-L-prolinamide | H,I | 3DHK | 0.78 | |
16U | N-(3-chlorobenzyl)-1-(4-methylpentanoyl)- L-prolinamide | H,I | 3DT0 | 0.8 | |
SP8 | N-{(1S)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNS | 0.78 | |
64U | 3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)- L-prolinamide | H,I | 3DUX | 0.8 | |
EOA | N-PHENETHYL-FORMAMIDE | H,I | 1A5G | 0.7 | |
AAP | ALPHA-(2,6-DICHLOROPHENYL)-ALPHA- (2-ACETYL-5-METHYLANILINO)ACETAMIDE | A | 1VRU | 0.71 | |
AAP | ALPHA-(2,6-DICHLOROPHENYL)-ALPHA- (2-ACETYL-5-METHYLANILINO)ACETAMIDE | A | 1HPZ | 0.71 | |
U1N | 4-[(3R)-3-{[2-(4-FLUOROPHENYL)- 2-OXOETHYL]AMINO}BUTYL]BENZAMIDE | A,B | 2OGZ | 0.74 | |
19U | 1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)- L-prolinamide | H,I | 2ZFP | 0.81 | |
SRD | D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID | B,C | 4VGC | 0.73 | |
CRP | ((1RS,3SR)-2,2-DICHLORO-N-[(R)- 1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL- 3-METHYLCYCLOPROPANECARBOXAMIDE | A | 2STD | 0.84 | |
CRP | ((1RS,3SR)-2,2-DICHLORO-N-[(R)- 1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL- 3-METHYLCYCLOPROPANECARBOXAMIDE | A,B,C | 7STD | 0.84 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | E,F,G,H | 1NJU | 0.77 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | Y,Z | 1JQ7 | 0.77 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | C | 1NKM | 0.77 | |
V35 | D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID | B,C | 2VGC | 0.84 | |
JNH | 1-[2-(S)-AMINO-3-BIPHENYL-4-YL- PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE | I,J | 2AJL | 0.71 | |
N2T | (2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL- 2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO- 1H-PYRROLE-1-CARBOXAMIDE | A,B | 2FKY | 0.73 | |
LAZ | N-(2-AMINOETHYL)-P-CHLOROBENZAMIDE | A,B | 1OJC | 0.78 | |
BNF | N-BENZYLFORMAMIDE | A,B | 1U3U | 0.72 | |
L86 | (11S)-11-BENZYL-6-CHLORO-1,2,10,11,12,13,14,15,16,17,18,19- DODECAHYDRO-5,9-METHANO-2,5,8,10,13,17- BENZOHEXAAZACYCLOHENICOSINE-3,24- DIONE | A,B | 1NM6 | 0.71 | |
53U | D-phenylalanyl-N-benzyl-L-prolinamide | H,I | 2ZFF | 0.75 | |
P21 | 4-chloro-N-(3-methoxypropyl)-N- [(3S)-1-(2-phenylethyl)piperidin- 3-yl]benzamide | A | 2VD4 | 0.79 | |
TTX | TENTOXIN | B | 1KMH | 0.71 | |
DHQ | 3,4-DIHYDRO-5-METHYL-ISOQUINOLINONE | A | 1PAX | 0.72 | |
468 | (3S)-N-(3-CHLORO-2-METHYLPHENYL)- 1-CYCLOHEXYL-5-OXOPYRROLIDINE-3- CARBOXAMIDE | A | 2H7P | 0.73 | |
FPB | N-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN- 2-YL}METHYL)BENZAMIDE | A,B | 2BUB | 0.74 | |
SRB | L-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID | B,C | 3VGC | 0.73 | |
KR2 | (2R)-4-(2-BENZOYL-1,2-DIAZEPAN- 1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN- 2-AMINE | A,B | 2OLE | 0.73 | |
176 | 1-(2-AMINO-3,3-DIPHENYL-PROPIONYL)- PYRROLIDINE-3-CARBOXYLIC ACID 2,5- DICHLORO-BENZYLAMIDE | A,B | 1TA2 | 0.76 | |
GB5 | (2E)-3-(4-CHLOROPHENYL)-N-HYDROXYACRYLAMIDE | A,B | 2ILP | 0.72 | |
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 | |
FPA | 1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDE | E,I | 4EST | 0.73 | |
51U | D-phenylalanyl-N-(3-methylbenzyl)- L-prolinamide | H,I | 2ZF0 | 0.74 | |
C2B | 1-(4-CHLOROPHENYL)METHANAMINE | D,H | 2Q7Q | 0.73 | |
998 | N-METHYLALANYL-3-METHYLVALYL-N- (1,2,3,4-TETRAHYDRONAPHTHALEN-1- YL)PROLINAMIDE | A | 1TFQ | 0.71 | |
GK5 | N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)- 6-methylbiphenyl-3,4'-dicarboxamide | A | 3D7Z | 0.76 | |
37U | D-phenylalanyl-N-(3-fluorobenzyl)- L-prolinamide | H,I | 2ZDV | 0.73 | |
F1H | N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide | A | 2ZJH | 0.74 | |
BAC | N-(4-IODO-BENZYL)-FORMAMIDE | A,B,C,D | 2WPO | 0.7 | |
LY1 | 8,9-DICHLORO-2,3,4,5-TETRAHYDRO- 1H-BENZO[C]AZEPINE | A,B | 1N7I | 0.74 | |
N5T | (2S)-4-(2,5-DIFLUOROPHENYL)-N,N- DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H- PYRROLE-1-CARBOXAMIDE | A,B | 2FL6 | 0.71 | |
HIN | (2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL- CHLOROETHYLKETONE | B | 2GMT | 0.74 | |
22U | D-phenylalanyl-N-(3-chlorobenzyl)- L-prolinamide | H,I | 2ZC9 | 0.82 | |
21U | D-leucyl-N-(3-chlorobenzyl)-L-prolinamide | H,I | 2ZGB | 0.8 | |
44U | beta-phenyl-D-phenylalanyl-N-propyl- L-prolinamide | B,D | 3DA9 | 0.7 | |
4PI | N-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINE | A,B | 2NSD | 0.73 | |
PHC | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIM | 0.72 | |
PHC | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIL | 0.72 | |
SP9 | N-{(1R)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNT | 0.78 | |
CLD | D-PARA-CHLOROPHENYL-1-ACTEAMIDOBORONIC ACID ALANINE | A | 1AVT | 0.76 | |
V36 | L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID | B,C | 1VGC | 0.84 | |
SRE | (1S,4S)-4-(3,4-dichlorophenyl)- N-methyl-1,2,3,4-tetrahydronaphthalen- 1-amine | A | 3GWU | 0.78 |