Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01725094
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 |
GK5 | N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)- 6-methylbiphenyl-3,4'-dicarboxamide | A | 3D7Z | 0.72 | |
MQ8 | MENAQUINONE 8 | C,H,L,M | 1EYS | 0.74 | |
HPQ | HOMOPHENYLALANINYLMETHANE | B | 1EWP | 0.74 | |
DHQ | 3,4-DIHYDRO-5-METHYL-ISOQUINOLINONE | A | 1PAX | 0.74 | |
AC0 | 1-PHENYLETHANONE | A | 1ZK1 | 0.77 | |
AC0 | 1-PHENYLETHANONE | A | 1ZK4 | 0.77 | |
PQN | PHYLLOQUINONE | A,B,C,F,I,J, K,L,M,X | 1JB0 | 0.76 | |
PQN | PHYLLOQUINONE | 1,2,3,4,A,B, C,F,G,H,I,J, K,L | 2O01 | 0.76 | |
PQN | PHYLLOQUINONE | A,B,C,F,K,L | 2PPS | 0.76 | |
PQN | PHYLLOQUINONE | A,B,C,F,K,L | 1C51 | 0.76 | |
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 | 0.76 | |
DMW | 2,3-DIMETHYL-1,4-NAPHTHOQUINONE | A,B,C,D,E,F | 2BS4 | 0.73 | |
EBW | 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}- 3-OXOPENTYL)-N,N-DIMETHYL-N-PROP- 2-ENYLBENZENAMINIUM | A | 1E3Q | 0.7 | |
MQ7 | MENAQUINONE-7 | C,H,L,M | 1PRC | 0.74 | |
MQ7 | MENAQUINONE-7 | A,B,D,M,N,P | 2B76 | 0.74 | |
MQ7 | MENAQUINONE-7 | C,H,L,M | 5PRC | 0.74 | |
MQ7 | MENAQUINONE-7 | C,H,L,M | 7PRC | 0.74 | |
MQ7 | MENAQUINONE-7 | C,H,L,M | 2PRC | 0.74 | |
MQ7 | MENAQUINONE-7 | C,H,L,M | 1R2C | 0.74 | |
MQ7 | MENAQUINONE-7 | A,B,C,E,F,G | 2VPW | 0.74 | |
MQ7 | MENAQUINONE-7 | C,H,L,M | 3PRC | 0.74 | |
MQ7 | MENAQUINONE-7 | A,B,D,M,N,O,P | 1L0V | 0.74 | |
MQ7 | MENAQUINONE-7 | C,H,L,M | 2JBL | 0.74 | |
MQ7 | MENAQUINONE-7 | C,H,L,M | 6PRC | 0.74 | |
R01 | (4'-{[ALLYL(METHYL)AMINO]METHYL}- 1,1'-BIPHENYL-4-YL)(4-BROMOPHENYL)METHANONE | A,B,C | 1H35 | 0.78 | |
HBC | (2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT- 2-YL)-PHENYL-METHANONE | H | 1JGU | 0.74 | |
LEG | 1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE | A,B | 2PIN | 0.8 | |
MQ9 | MENAQUINONE-9 | C,H,L,M | 3D38 | 0.74 | |
MQ9 | MENAQUINONE-9 | C,H,L,M | 1VRN | 0.74 | |
MQ9 | MENAQUINONE-9 | C,H,L,M | 2I5N | 0.74 | |
MQ9 | MENAQUINONE-9 | C,H,L,M,U | 1DXR | 0.74 | |
KHA | 1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)- 1-METHYLPIPERIDINIUM | H,L,X,Y | 1UWG | 0.74 | |
SP8 | N-{(1S)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNS | 0.73 | |
LOB | LOBELINE | A,B,C,D,E,F, G,H,I,J | 2BYS | 0.76 | |
4PI | N-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINE | A,B | 2NSD | 0.86 | |
VK3 | MENADIONE | A | 1TUV | 0.73 | |
VK3 | MENADIONE | A,B | 2QR2 | 0.73 | |
4AF | 4-ACETYL-L-PHENYLALANINE | A | 1ZH6 | 0.71 | |
9TA | 1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE | A,B | 1FDG | 0.71 | |
TF1 | 4-({(2R,5S)-2,5-DIMETHYL-4-[(2R)- 3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]PIPERAZIN- 1-YL}CARBONYL)BENZONITRILE | A | 2BU5 | 0.7 | |
TF1 | 4-({(2R,5S)-2,5-DIMETHYL-4-[(2R)- 3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]PIPERAZIN- 1-YL}CARBONYL)BENZONITRILE | A | 2BU2 | 0.7 | |
SP9 | N-{(1R)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNT | 0.73 | |
4FP | 4-(4-FLUOROBENZYL)PIPERIDINE | A | 2OHN | 0.7 | |
U1N | 4-[(3R)-3-{[2-(4-FLUOROPHENYL)- 2-OXOETHYL]AMINO}BUTYL]BENZAMIDE | A,B | 2OGZ | 0.76 | |
PBF | PARA-(BENZOYL)-PHENYLALANINE | A | 2FR9 | 0.7 | |
PBF | PARA-(BENZOYL)-PHENYLALANINE | A,B | 1EEN | 0.7 | |
PBF | PARA-(BENZOYL)-PHENYLALANINE | A | 2HGZ | 0.7 | |
PBF | PARA-(BENZOYL)-PHENYLALANINE | A | 2FRB | 0.7 | |
BZQ | DIPHENYLMETHANONE | A,B | 1GT5 | 0.77 | |
BZQ | DIPHENYLMETHANONE | A,B | 1DZP | 0.77 | |
L18 | (2S)-1-methyl-2-[(2S,4R)-2-methyl- 4-phenylpentyl]piperidine | A | 2JJG | 0.77 | |
PHM | PHENYLALANYLMETHANE | A,I | 1PJP | 0.72 | |
PHM | PHENYLALANYLMETHANE | A,B,C | 2J9J | 0.72 | |
PHM | PHENYLALANYLMETHANE | A,B,C | 2JE4 | 0.72 |