Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02999178
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 |
KTP | (2-NAPHTHALEN-2-YL-1-NAPHTHALEN- 1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID | A,B | 1KYN | 0.76 | |
HPQ | HOMOPHENYLALANINYLMETHANE | B | 1EWP | 0.73 | |
156 | 4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID | A | 1FCZ | 0.72 | |
FL2 | FLURBIPROFEN METHYL ESTER | A,B | 1HT5 | 0.72 | |
HBC | (2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT- 2-YL)-PHENYL-METHANONE | H | 1JGU | 0.77 | |
NDD | 2,6-DICARBOXYNAPHTHALENE | A | 1U4O | 0.71 | |
NDD | 2,6-DICARBOXYNAPHTHALENE | A,B,C,D | 1HAC | 0.71 | |
VK3 | MENADIONE | A | 1TUV | 0.9 | |
VK3 | MENADIONE | A,B | 2QR2 | 0.9 | |
BDB | A,B | 1KE3 | 0.74 | ||
FLP | FLURBIPROFEN | A,B,C,D | 3PGH | 0.72 | |
FLP | FLURBIPROFEN | A,B | 1CQE | 0.72 | |
FLP | FLURBIPROFEN | A,B | 1EQH | 0.72 | |
FLP | FLURBIPROFEN | A,B | 2AYL | 0.72 | |
FLP | FLURBIPROFEN | A | 1DVT | 0.72 | |
FLP | FLURBIPROFEN | A | 1R9O | 0.72 | |
OXE | ORTHO-XYLENE | A,B | 3E0X | 0.73 | |
OXE | ORTHO-XYLENE | A | 188L | 0.73 | |
DBE | bis(4-hydroxyphenyl)methanone | A | 2VKU | 0.71 | |
PQN | PHYLLOQUINONE | A,B,C,F,I,J, K,L,M,X | 1JB0 | 0.87 | |
PQN | PHYLLOQUINONE | 1,2,3,4,A,B, C,F,G,H,I,J, K,L | 2O01 | 0.87 | |
PQN | PHYLLOQUINONE | A,B,C,F,K,L | 2PPS | 0.87 | |
PQN | PHYLLOQUINONE | A,B,C,F,K,L | 1C51 | 0.87 | |
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 | 0.87 | |
OST | METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE | C,D,E | 1SQQ | 0.72 | |
TRZ | TRAZEOLIDE | A | 1C12 | 0.71 | |
HBX | benzaldehyde | A,B | 3GDN | 0.8 | |
173 | BENZOYL-FORMIC ACID | A,B | 1SZE | 0.74 | |
TTB | 4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID | A | 1XAP | 0.7 | |
NLA | NAPHTHALEN-1-YL-ACETIC ACID | A,B,C,D | 1LRH | 0.71 | |
NLA | NAPHTHALEN-1-YL-ACETIC ACID | B | 2P1O | 0.71 | |
1LP | TRANYLCYPROMINE | A,B | 1OJB | 0.8 | |
9TA | 1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE | A,B | 1FDG | 0.92 | |
NPY | NAPHTHALENE | A,B | 1O7G | 0.72 | |
1PB | 1,4-DIPHENYL-2-BUTENE | A,B | 1OJ9 | 0.71 | |
PHM | PHENYLALANYLMETHANE | A,I | 1PJP | 0.71 | |
PHM | PHENYLALANYLMETHANE | A,B,C | 2J9J | 0.71 | |
PHM | PHENYLALANYLMETHANE | A,B,C | 2JE4 | 0.71 | |
IBP | IBUPROFEN | A | 3FKX | 0.7 | |
IBP | IBUPROFEN | A,B | 2BXG | 0.7 | |
IBP | IBUPROFEN | A,B | 1EQG | 0.7 | |
IBP | IBUPROFEN | A,B,C | 2WD9 | 0.7 | |
IBP | IBUPROFEN | A | 2PWS | 0.7 | |
HY1 | PHENYLACETALDEHYDE | D,H | 2I0S | 0.78 | |
HY1 | PHENYLACETALDEHYDE | A,B | 1D6Y | 0.78 | |
HY1 | PHENYLACETALDEHYDE | A,B | 1D6Z | 0.78 | |
HY1 | PHENYLACETALDEHYDE | D,H | 2OK4 | 0.78 | |
HY1 | PHENYLACETALDEHYDE | A,B | 1D6U | 0.78 | |
FPR | PROPYLBENZENE | C | 1RHK | 0.7 | |
AC0 | 1-PHENYLETHANONE | A | 1ZK1 | 0.92 | |
AC0 | 1-PHENYLETHANONE | A | 1ZK4 | 0.92 | |
HPK | (3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE | A | 2PUH | 0.81 | |
BP4 | BIPHENYL-4-YL-ACETALDEHYDE | A,B,E,F,G,H | 1MHW | 0.83 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1K5S | 0.72 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1KEC | 0.72 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1K7D | 0.72 | |
MQ9 | MENAQUINONE-9 | C,H,L,M | 3D38 | 0.87 | |
MQ9 | MENAQUINONE-9 | C,H,L,M | 1VRN | 0.87 | |
MQ9 | MENAQUINONE-9 | C,H,L,M | 2I5N | 0.87 | |
MQ9 | MENAQUINONE-9 | C,H,L,M,U | 1DXR | 0.87 | |
DFA | DIPHENYLACETIC ACID | A,B,C | 1GMY | 0.74 | |
4FC | A | 1YSG | 0.72 | ||
BZQ | DIPHENYLMETHANONE | A,B | 1GT5 | 0.96 | |
BZQ | DIPHENYLMETHANONE | A,B | 1DZP | 0.96 | |
PPT | 3-(P-TOLYL)PROPIONIC ACID | A,B | 2AY4 | 0.71 | |
HPZ | (2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID | A | 2PUJ | 0.75 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A | 1OS0 | 0.71 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJI | 0.71 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJJ | 0.71 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2VS2 | 0.71 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 1OD1 | 0.71 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | E | 1EPR | 0.71 | |
PPY | 3-PHENYLPYRUVIC ACID | A,B | 2Q5O | 0.71 | |
PPY | 3-PHENYLPYRUVIC ACID | A,B | 1LCO | 0.71 | |
PPY | 3-PHENYLPYRUVIC ACID | A,B,C,D,E,F | 2ZF4 | 0.71 | |
PPY | 3-PHENYLPYRUVIC ACID | A,B | 1BW9 | 0.71 | |
HPX | (2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID | A,B,C,D | 2DSA | 0.75 | |
C0E | 3-fluoro-6-(4-fluorophenyl)-2-hydroxy- 6-oxohexa-2,4-dienoic acid | A | 2RHW | 0.72 | |
5PV | 5-PHENYLVALERIC ACID | A,B | 2AY9 | 0.71 | |
MQ7 | MENAQUINONE-7 | C,H,L,M | 1PRC | 0.87 | |
MQ7 | MENAQUINONE-7 | A,B,D,M,N,P | 2B76 | 0.87 | |
MQ7 | MENAQUINONE-7 | C,H,L,M | 5PRC | 0.87 | |
MQ7 | MENAQUINONE-7 | C,H,L,M | 7PRC | 0.87 | |
MQ7 | MENAQUINONE-7 | C,H,L,M | 2PRC | 0.87 | |
MQ7 | MENAQUINONE-7 | C,H,L,M | 1R2C | 0.87 | |
MQ7 | MENAQUINONE-7 | A,B,C,E,F,G | 2VPW | 0.87 | |
MQ7 | MENAQUINONE-7 | C,H,L,M | 3PRC | 0.87 | |
MQ7 | MENAQUINONE-7 | A,B,D,M,N,O,P | 1L0V | 0.87 | |
MQ7 | MENAQUINONE-7 | C,H,L,M | 2JBL | 0.87 | |
MQ7 | MENAQUINONE-7 | C,H,L,M | 6PRC | 0.87 | |
FBC | A,B | 2B9A | 0.72 | ||
I4B | ISOBUTYLBENZENE | A | 184L | 0.71 | |
3PL | 3-PHENYLPROPANAL | E | 1Y3G | 0.77 | |
LEG | 1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE | A,B | 2PIN | 0.91 | |
PBP | 1-(4-BROMO-PHENYL)-ETHANONE | A,B | 2OK9 | 0.8 | |
PBP | 1-(4-BROMO-PHENYL)-ETHANONE | A,B | 1Z76 | 0.8 | |
PBP | 1-(4-BROMO-PHENYL)-ETHANONE | A | 1BK9 | 0.8 | |
C1E | (2Z,4E)-3-chloro-2-hydroxy-6-oxo- 6-phenylhexa-2,4-dienoic acid | A | 2RHT | 0.73 | |
DMW | 2,3-DIMETHYL-1,4-NAPHTHOQUINONE | A,B,C,D,E,F | 2BS4 | 0.9 | |
OSB | 2-SUCCINYLBENZOATE | A | 1FHV | 0.73 | |
OSB | 2-SUCCINYLBENZOATE | A,B,C,D | 1SJB | 0.73 | |
OSB | 2-SUCCINYLBENZOATE | A,B | 2QVH | 0.73 | |
ELI | 6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID | A,B | 2GH5 | 0.78 | |
ANQ | ACENAPHTHENEQUINONE | H,J | 1OAX | 0.85 | |
PYL | PHENYLETHANE | C | 1B07 | 0.7 | |
PYL | PHENYLETHANE | A,B | 2VRM | 0.7 | |
PYL | PHENYLETHANE | A | 1NHB | 0.7 | |
BFL | A,B | 1Q4G | 0.74 | ||
MQ8 | MENAQUINONE 8 | C,H,L,M | 1EYS | 0.87 | |
N4B | N-BUTYLBENZENE | A | 186L | 0.7 | |
KPV | 5-PHENYL-2-KETO-VALERIC ACID | A,B | 2Q5Q | 0.71 | |
26C | A,B | 2F7I | 0.72 | ||
BZM | BENZOIC ACID PHENYLMETHYLESTER | A,B | 1DZM | 0.71 |