Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02392582
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 |
3PL![]() | 3-PHENYLPROPANAL | E | 1Y3G | 0.81 | ![]() |
GRO![]() | R-2-PHENYL-PROPRIONIC ACID | B | 1K5S | 0.73 | ![]() |
GRO![]() | R-2-PHENYL-PROPRIONIC ACID | B | 1KEC | 0.73 | ![]() |
GRO![]() | R-2-PHENYL-PROPRIONIC ACID | B | 1K7D | 0.73 | ![]() |
OST![]() | METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE | C,D,E | 1SQQ | 0.7 | ![]() |
BFL![]() | A,B | 1Q4G | 0.76 | ![]() | |
LEG![]() | 1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE | A,B | 2PIN | 0.81 | ![]() |
MQ9![]() | MENAQUINONE-9 | C,H,L,M | 3D38 | 0.78 | ![]() |
MQ9![]() | MENAQUINONE-9 | C,H,L,M | 1VRN | 0.78 | ![]() |
MQ9![]() | MENAQUINONE-9 | C,H,L,M | 2I5N | 0.78 | ![]() |
MQ9![]() | MENAQUINONE-9 | C,H,L,M,U | 1DXR | 0.78 | ![]() |
BP4![]() | BIPHENYL-4-YL-ACETALDEHYDE | A,B,E,F,G,H | 1MHW | 0.87 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1BXG | 0.73 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1TOG | 0.73 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1V2F | 0.73 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1AHX | 0.73 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A | 1TOI | 0.73 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1AY8 | 0.73 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A | 1TOJ | 0.73 | ![]() |
I4B![]() | ISOBUTYLBENZENE | A | 184L | 0.72 | ![]() |
HPQ![]() | HOMOPHENYLALANINYLMETHANE | B | 1EWP | 0.74 | ![]() |
ANQ![]() | ACENAPHTHENEQUINONE | H,J | 1OAX | 0.79 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A | 1OS0 | 0.72 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJI | 0.72 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJJ | 0.72 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2VS2 | 0.72 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 1OD1 | 0.72 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | E | 1EPR | 0.72 | ![]() |
PPT![]() | 3-(P-TOLYL)PROPIONIC ACID | A,B | 2AY4 | 0.72 | ![]() |
OXE![]() | ORTHO-XYLENE | A,B | 3E0X | 0.74 | ![]() |
OXE![]() | ORTHO-XYLENE | A | 188L | 0.74 | ![]() |
NPY![]() | NAPHTHALENE | A,B | 1O7G | 0.75 | ![]() |
MQ7![]() | MENAQUINONE-7 | C,H,L,M | 1PRC | 0.78 | ![]() |
MQ7![]() | MENAQUINONE-7 | A,B,D,M,N,P | 2B76 | 0.78 | ![]() |
MQ7![]() | MENAQUINONE-7 | C,H,L,M | 5PRC | 0.78 | ![]() |
MQ7![]() | MENAQUINONE-7 | C,H,L,M | 7PRC | 0.78 | ![]() |
MQ7![]() | MENAQUINONE-7 | C,H,L,M | 2PRC | 0.78 | ![]() |
MQ7![]() | MENAQUINONE-7 | C,H,L,M | 1R2C | 0.78 | ![]() |
MQ7![]() | MENAQUINONE-7 | A,B,C,E,F,G | 2VPW | 0.78 | ![]() |
MQ7![]() | MENAQUINONE-7 | C,H,L,M | 3PRC | 0.78 | ![]() |
MQ7![]() | MENAQUINONE-7 | A,B,D,M,N,O,P | 1L0V | 0.78 | ![]() |
MQ7![]() | MENAQUINONE-7 | C,H,L,M | 2JBL | 0.78 | ![]() |
MQ7![]() | MENAQUINONE-7 | C,H,L,M | 6PRC | 0.78 | ![]() |
KPV![]() | 5-PHENYL-2-KETO-VALERIC ACID | A,B | 2Q5Q | 0.75 | ![]() |
CLT![]() | 4-PHENYL-BUTANOIC ACID | A | 1THL | 0.72 | ![]() |
CLT![]() | 4-PHENYL-BUTANOIC ACID | A,B | 2AY7 | 0.72 | ![]() |
CLT![]() | 4-PHENYL-BUTANOIC ACID | E,I | 1TMN | 0.72 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B | 2Q5O | 0.75 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B | 1LCO | 0.75 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B,C,D,E,F | 2ZF4 | 0.75 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B | 1BW9 | 0.75 | ![]() |
VK3![]() | MENADIONE | A | 1TUV | 0.81 | ![]() |
VK3![]() | MENADIONE | A,B | 2QR2 | 0.81 | ![]() |
PBP![]() | 1-(4-BROMO-PHENYL)-ETHANONE | A,B | 2OK9 | 0.72 | ![]() |
PBP![]() | 1-(4-BROMO-PHENYL)-ETHANONE | A,B | 1Z76 | 0.72 | ![]() |
PBP![]() | 1-(4-BROMO-PHENYL)-ETHANONE | A | 1BK9 | 0.72 | ![]() |
1LP![]() | TRANYLCYPROMINE | A,B | 1OJB | 0.82 | ![]() |
BDB![]() | A,B | 1KE3 | 0.78 | ![]() | |
FL2![]() | FLURBIPROFEN METHYL ESTER | A,B | 1HT5 | 0.73 | ![]() |
FPR![]() | PROPYLBENZENE | C | 1RHK | 0.72 | ![]() |
5PV![]() | 5-PHENYLVALERIC ACID | A,B | 2AY9 | 0.74 | ![]() |
MQ8![]() | MENAQUINONE 8 | C,H,L,M | 1EYS | 0.78 | ![]() |
9TA![]() | 1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE | A,B | 1FDG | 0.85 | ![]() |
FLP![]() | FLURBIPROFEN | A,B,C,D | 3PGH | 0.73 | ![]() |
FLP![]() | FLURBIPROFEN | A,B | 1CQE | 0.73 | ![]() |
FLP![]() | FLURBIPROFEN | A,B | 1EQH | 0.73 | ![]() |
FLP![]() | FLURBIPROFEN | A,B | 2AYL | 0.73 | ![]() |
FLP![]() | FLURBIPROFEN | A | 1DVT | 0.73 | ![]() |
FLP![]() | FLURBIPROFEN | A | 1R9O | 0.73 | ![]() |
BZQ![]() | DIPHENYLMETHANONE | A,B | 1GT5 | 0.88 | ![]() |
BZQ![]() | DIPHENYLMETHANONE | A,B | 1DZP | 0.88 | ![]() |
PBA![]() | PHENYLETHANE BORONIC ACID | C,G | 6CHA | 0.72 | ![]() |
1PB![]() | 1,4-DIPHENYL-2-BUTENE | A,B | 1OJ9 | 0.75 | ![]() |
KTP![]() | (2-NAPHTHALEN-2-YL-1-NAPHTHALEN- 1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID | A,B | 1KYN | 0.7 | ![]() |
DMW![]() | 2,3-DIMETHYL-1,4-NAPHTHOQUINONE | A,B,C,D,E,F | 2BS4 | 0.81 | ![]() |
BBA![]() | 2,7-BIS-(4-AMIDINOBENZYLIDENE)- CYCLOHEPTAN-1-ONE | A,B | 1A5H | 0.71 | ![]() |
BBA![]() | 2,7-BIS-(4-AMIDINOBENZYLIDENE)- CYCLOHEPTAN-1-ONE | T | 1V2N | 0.71 | ![]() |
HY1![]() | PHENYLACETALDEHYDE | D,H | 2I0S | 0.82 | ![]() |
HY1![]() | PHENYLACETALDEHYDE | A,B | 1D6Y | 0.82 | ![]() |
HY1![]() | PHENYLACETALDEHYDE | A,B | 1D6Z | 0.82 | ![]() |
HY1![]() | PHENYLACETALDEHYDE | D,H | 2OK4 | 0.82 | ![]() |
HY1![]() | PHENYLACETALDEHYDE | A,B | 1D6U | 0.82 | ![]() |
HPK![]() | (3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE | A | 2PUH | 0.75 | ![]() |
HBC![]() | (2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT- 2-YL)-PHENYL-METHANONE | H | 1JGU | 0.71 | ![]() |
HBX![]() | benzaldehyde | A,B | 3GDN | 0.73 | ![]() |
NAM![]() | NAM NAPTHYLAMINOALANINE | A,B,I,J | 3FIV | 0.7 | ![]() |
NAM![]() | NAM NAPTHYLAMINOALANINE | A,B,I,J | 2FIV | 0.7 | ![]() |
PQN![]() | PHYLLOQUINONE | A,B,C,F,I,J, K,L,M,X | 1JB0 | 0.78 | ![]() |
PQN![]() | PHYLLOQUINONE | 1,2,3,4,A,B, C,F,G,H,I,J, K,L | 2O01 | 0.78 | ![]() |
PQN![]() | PHYLLOQUINONE | A,B,C,F,K,L | 2PPS | 0.78 | ![]() |
PQN![]() | PHYLLOQUINONE | A,B,C,F,K,L | 1C51 | 0.78 | ![]() |
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 | 0.78 | ![]() |
NLA![]() | NAPHTHALEN-1-YL-ACETIC ACID | A,B,C,D | 1LRH | 0.74 | ![]() |
NLA![]() | NAPHTHALEN-1-YL-ACETIC ACID | B | 2P1O | 0.74 | ![]() |
PEY![]() | PHENANTHRENE | A,B | 2HML | 0.72 | ![]() |
PEY![]() | PHENANTHRENE | A,B | 2HMK | 0.72 | ![]() |
DFA![]() | DIPHENYLACETIC ACID | A,B,C | 1GMY | 0.77 | ![]() |
N4B![]() | N-BUTYLBENZENE | A | 186L | 0.72 | ![]() |
IBP![]() | IBUPROFEN | A | 3FKX | 0.71 | ![]() |
IBP![]() | IBUPROFEN | A,B | 2BXG | 0.71 | ![]() |
IBP![]() | IBUPROFEN | A,B | 1EQG | 0.71 | ![]() |
IBP![]() | IBUPROFEN | A,B,C | 2WD9 | 0.71 | ![]() |
IBP![]() | IBUPROFEN | A | 2PWS | 0.71 | ![]() |
ELI![]() | 6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID | A,B | 2GH5 | 0.7 | ![]() |
DEN![]() | INDENE | A | 183L | 0.71 | ![]() |
PYL![]() | PHENYLETHANE | C | 1B07 | 0.72 | ![]() |
PYL![]() | PHENYLETHANE | A,B | 2VRM | 0.72 | ![]() |
PYL![]() | PHENYLETHANE | A | 1NHB | 0.72 | ![]() |
BIP![]() | 2-BENZYL-3-IODOPROPANOIC ACID | A,B,C,D | 1BAV | 0.71 | ![]() |
PHM![]() | PHENYLALANYLMETHANE | A,I | 1PJP | 0.72 | ![]() |
PHM![]() | PHENYLALANYLMETHANE | A,B,C | 2J9J | 0.72 | ![]() |
PHM![]() | PHENYLALANYLMETHANE | A,B,C | 2JE4 | 0.72 | ![]() |
AN3![]() | ANTHRACENE | A,B | 2HMN | 0.72 | ![]() |
AN3![]() | ANTHRACENE | A,B | 2HMM | 0.72 | ![]() |
AC0![]() | 1-PHENYLETHANONE | A | 1ZK1 | 0.82 | ![]() |
AC0![]() | 1-PHENYLETHANONE | A | 1ZK4 | 0.82 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | B | 1PNL | 0.72 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | B | 1K5Q | 0.72 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | B | 1FXH | 0.72 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | A | 2ISF | 0.72 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | A | 2INE | 0.72 | ![]() |