Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00085353
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 |
ANQ![]() | ACENAPHTHENEQUINONE | H,J | 1OAX | 0.71 | ![]() |
MQ7![]() | MENAQUINONE-7 | C,H,L,M | 1PRC | 0.72 | ![]() |
MQ7![]() | MENAQUINONE-7 | A,B,D,M,N,P | 2B76 | 0.72 | ![]() |
MQ7![]() | MENAQUINONE-7 | C,H,L,M | 5PRC | 0.72 | ![]() |
MQ7![]() | MENAQUINONE-7 | C,H,L,M | 7PRC | 0.72 | ![]() |
MQ7![]() | MENAQUINONE-7 | C,H,L,M | 2PRC | 0.72 | ![]() |
MQ7![]() | MENAQUINONE-7 | C,H,L,M | 1R2C | 0.72 | ![]() |
MQ7![]() | MENAQUINONE-7 | A,B,C,E,F,G | 2VPW | 0.72 | ![]() |
MQ7![]() | MENAQUINONE-7 | C,H,L,M | 3PRC | 0.72 | ![]() |
MQ7![]() | MENAQUINONE-7 | A,B,D,M,N,O,P | 1L0V | 0.72 | ![]() |
MQ7![]() | MENAQUINONE-7 | C,H,L,M | 2JBL | 0.72 | ![]() |
MQ7![]() | MENAQUINONE-7 | C,H,L,M | 6PRC | 0.72 | ![]() |
4PI![]() | N-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINE | A,B | 2NSD | 0.81 | ![]() |
MQ9![]() | MENAQUINONE-9 | C,H,L,M | 3D38 | 0.72 | ![]() |
MQ9![]() | MENAQUINONE-9 | C,H,L,M | 1VRN | 0.72 | ![]() |
MQ9![]() | MENAQUINONE-9 | C,H,L,M | 2I5N | 0.72 | ![]() |
MQ9![]() | MENAQUINONE-9 | C,H,L,M,U | 1DXR | 0.72 | ![]() |
KR2![]() | (2R)-4-(2-BENZOYL-1,2-DIAZEPAN- 1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN- 2-AMINE | A,B | 2OLE | 0.7 | ![]() |
605![]() | 4'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl- 3-carboxamide | A,B | 3D4L | 0.72 | ![]() |
VK3![]() | MENADIONE | A | 1TUV | 0.71 | ![]() |
VK3![]() | MENADIONE | A,B | 2QR2 | 0.71 | ![]() |
MQ8![]() | MENAQUINONE 8 | C,H,L,M | 1EYS | 0.72 | ![]() |
MIN![]() | METHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINE | H,I | 1TOM | 0.72 | ![]() |
9TA![]() | 1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE | A,B | 1FDG | 0.74 | ![]() |
AC0![]() | 1-PHENYLETHANONE | A | 1ZK1 | 0.73 | ![]() |
AC0![]() | 1-PHENYLETHANONE | A | 1ZK4 | 0.73 | ![]() |
51U![]() | D-phenylalanyl-N-(3-methylbenzyl)- L-prolinamide | H,I | 2ZF0 | 0.71 | ![]() |
SP9![]() | N-{(1R)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNT | 0.71 | ![]() |
L18![]() | (2S)-1-methyl-2-[(2S,4R)-2-methyl- 4-phenylpentyl]piperidine | A | 2JJG | 0.71 | ![]() |
GK5![]() | N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)- 6-methylbiphenyl-3,4'-dicarboxamide | A | 3D7Z | 0.73 | ![]() |
BM1![]() | (R)-(+)9B-(3-METHYL)PHENYL-2,3- DIHYDROTHIAZOLO[2,3-A]ISOINDOL- 5(9BH)-ONE | A | 1C0T | 0.71 | ![]() |
EBW![]() | 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}- 3-OXOPENTYL)-N,N-DIMETHYL-N-PROP- 2-ENYLBENZENAMINIUM | A | 1E3Q | 0.72 | ![]() |
FPB![]() | N-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN- 2-YL}METHYL)BENZAMIDE | A,B | 2BUB | 0.76 | ![]() |
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 | 0.71 | ![]() |
DMW![]() | 2,3-DIMETHYL-1,4-NAPHTHOQUINONE | A,B,C,D,E,F | 2BS4 | 0.71 | ![]() |
44U![]() | beta-phenyl-D-phenylalanyl-N-propyl- L-prolinamide | B,D | 3DA9 | 0.75 | ![]() |
53U![]() | D-phenylalanyl-N-benzyl-L-prolinamide | H,I | 2ZFF | 0.71 | ![]() |
SP8![]() | N-{(1S)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNS | 0.71 | ![]() |
LOB![]() | LOBELINE | A,B,C,D,E,F, G,H,I,J | 2BYS | 0.73 | ![]() |
PQN![]() | PHYLLOQUINONE | A,B,C,F,I,J, K,L,M,X | 1JB0 | 0.74 | ![]() |
PQN![]() | PHYLLOQUINONE | 1,2,3,4,A,B, C,F,G,H,I,J, K,L | 2O01 | 0.74 | ![]() |
PQN![]() | PHYLLOQUINONE | A,B,C,F,K,L | 2PPS | 0.74 | ![]() |
PQN![]() | PHYLLOQUINONE | A,B,C,F,K,L | 1C51 | 0.74 | ![]() |
PQN![]() | PHYLLOQUINONE | 0,1,2,3,4,5, 6,7,8,9,A,B, C,F,G,H,J,K, L,P,Q,R,U,V, W,Z | 1QZV | 0.74 | ![]() |
DHQ![]() | 3,4-DIHYDRO-5-METHYL-ISOQUINOLINONE | A | 1PAX | 0.71 | ![]() |
U1N![]() | 4-[(3R)-3-{[2-(4-FLUOROPHENYL)- 2-OXOETHYL]AMINO}BUTYL]BENZAMIDE | A,B | 2OGZ | 0.76 | ![]() |
HBC![]() | (2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT- 2-YL)-PHENYL-METHANONE | H | 1JGU | 0.8 | ![]() |
R01![]() | (4'-{[ALLYL(METHYL)AMINO]METHYL}- 1,1'-BIPHENYL-4-YL)(4-BROMOPHENYL)METHANONE | A,B,C | 1H35 | 0.79 | ![]() |
BZQ![]() | DIPHENYLMETHANONE | A,B | 1GT5 | 0.78 | ![]() |
BZQ![]() | DIPHENYLMETHANONE | A,B | 1DZP | 0.78 | ![]() |
LEG![]() | 1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE | A,B | 2PIN | 0.74 | ![]() |
JNH![]() | 1-[2-(S)-AMINO-3-BIPHENYL-4-YL- PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE | I,J | 2AJL | 0.77 | ![]() |
PBF![]() | PARA-(BENZOYL)-PHENYLALANINE | A | 2FR9 | 0.72 | ![]() |
PBF![]() | PARA-(BENZOYL)-PHENYLALANINE | A,B | 1EEN | 0.72 | ![]() |
PBF![]() | PARA-(BENZOYL)-PHENYLALANINE | A | 2HGZ | 0.72 | ![]() |
PBF![]() | PARA-(BENZOYL)-PHENYLALANINE | A | 2FRB | 0.72 | ![]() |