MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00817611

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
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A,B	2P0M	0.72
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A	1LOX	0.72
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.71
HY1	PHENYLACETALDEHYDE	D,H	2I0S	0.73
HY1	PHENYLACETALDEHYDE	A,B	1D6Y	0.73
HY1	PHENYLACETALDEHYDE	A,B	1D6Z	0.73
HY1	PHENYLACETALDEHYDE	D,H	2OK4	0.73
HY1	PHENYLACETALDEHYDE	A,B	1D6U	0.73
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.71
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.71
TRZ	TRAZEOLIDE	A	1C12	0.79
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.75
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.75
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.75
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.88
1LP	TRANYLCYPROMINE	A,B	1OJB	0.76
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	2OK9	0.74
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	1Z76	0.74
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A	1BK9	0.74
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
NIU	6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE	A	6UPJ	0.71
VK3	MENADIONE	A	1TUV	0.83
VK3	MENADIONE	A,B	2QR2	0.83
791	2-PHENYLMALONIC ACID	A	1O4P	0.7
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.75
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.71
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.71
PQN	PHYLLOQUINONE	A,B,C,F,I,J, K,L,M,X	1JB0	0.82
PQN	PHYLLOQUINONE	1,2,3,4,A,B, C,F,G,H,I,J, K,L	2O01	0.82
PQN	PHYLLOQUINONE	A,B,C,F,K,L	2PPS	0.82
PQN	PHYLLOQUINONE	A,B,C,F,K,L	1C51	0.82
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	0.82
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
TMM	1,3,5-BENZENETRICARBOXYLIC ACID	A,B,C,D	1SDL	0.7
TMM	1,3,5-BENZENETRICARBOXYLIC ACID	A,B,C,D	1SDK	0.7
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.79
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
156	4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID	A	1FCZ	0.73
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.74
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.74
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.74
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.74
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.74
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.74
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.74
R13	3-METHYL-7-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL) -OCTA-2,4,6-TRIENOIC ACID	A	2CBS	0.73
C1E	(2Z,4E)-3-chloro-2-hydroxy-6-oxo- 6-phenylhexa-2,4-dienoic acid	A	2RHT	0.76
IBP	IBUPROFEN	A	3FKX	0.77
IBP	IBUPROFEN	A,B	2BXG	0.77
IBP	IBUPROFEN	A,B	1EQG	0.77
IBP	IBUPROFEN	A,B,C	2WD9	0.77
IBP	IBUPROFEN	A	2PWS	0.77
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.81
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.81
CIN	4-CARBOXYCINNAMIC ACID	A,B,C,D	1HAB	0.71
CIN	4-CARBOXYCINNAMIC ACID	A,B	1T6J	0.71
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.79
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.72
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.72
AC0	1-PHENYLETHANONE	A	1ZK1	0.84
AC0	1-PHENYLETHANONE	A	1ZK4	0.84
MQ8	MENAQUINONE 8	C,H,L,M	1EYS	0.82
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.76
4AF	4-ACETYL-L-PHENYLALANINE	A	1ZH6	0.71
PAC	2-PHENYLACETIC ACID	B	1PNL	0.73
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.73
PAC	2-PHENYLACETIC ACID	B	1FXH	0.73
PAC	2-PHENYLACETIC ACID	A	2ISF	0.73
PAC	2-PHENYLACETIC ACID	A	2INE	0.73
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.71
FLP	FLURBIPROFEN	A,B	1CQE	0.71
FLP	FLURBIPROFEN	A,B	1EQH	0.71
FLP	FLURBIPROFEN	A,B	2AYL	0.71
FLP	FLURBIPROFEN	A	1DVT	0.71
FLP	FLURBIPROFEN	A	1R9O	0.71
3PL	3-PHENYLPROPANAL	E	1Y3G	0.72
4FC		A	1YSG	0.7
PHT	PHTHALIC ACID	A,B,C	2B7P	0.7
PHT	PHTHALIC ACID	A	3C2V	0.7
PHT	PHTHALIC ACID	A,B,C,D,E,F	1QPR	0.7
PHT	PHTHALIC ACID	A,B	3C2R	0.7
ARL	7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA- 2,4,6-TRIENOIC ACID	A	1NQ7	0.74
ANQ	ACENAPHTHENEQUINONE	H,J	1OAX	0.77
HBX	benzaldehyde	A,B	3GDN	0.73
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.76
HPZ	(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A	2PUJ	0.78
MQ7	MENAQUINONE-7	C,H,L,M	1PRC	0.82
MQ7	MENAQUINONE-7	A,B,D,M,N,P	2B76	0.82
MQ7	MENAQUINONE-7	C,H,L,M	5PRC	0.82
MQ7	MENAQUINONE-7	C,H,L,M	7PRC	0.82
MQ7	MENAQUINONE-7	C,H,L,M	2PRC	0.82
MQ7	MENAQUINONE-7	C,H,L,M	1R2C	0.82
MQ7	MENAQUINONE-7	A,B,C,E,F,G	2VPW	0.82
MQ7	MENAQUINONE-7	C,H,L,M	3PRC	0.82
MQ7	MENAQUINONE-7	A,B,D,M,N,O,P	1L0V	0.82
MQ7	MENAQUINONE-7	C,H,L,M	2JBL	0.82
MQ7	MENAQUINONE-7	C,H,L,M	6PRC	0.82
TTB	4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID	A	1XAP	0.71
UIN	5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE	B	5UPJ	0.71
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.72
HPX	(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A,B,C,D	2DSA	0.78
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.71
MQ9	MENAQUINONE-9	C,H,L,M	3D38	0.82
MQ9	MENAQUINONE-9	C,H,L,M	1VRN	0.82
MQ9	MENAQUINONE-9	C,H,L,M	2I5N	0.82
MQ9	MENAQUINONE-9	C,H,L,M,U	1DXR	0.82
C0E	3-fluoro-6-(4-fluorophenyl)-2-hydroxy- 6-oxohexa-2,4-dienoic acid	A	2RHW	0.75
4MA	4-METHYLBENZOIC ACID	A,H	2HRG	0.72
BFL		A,B	1Q4G	0.74
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.83
KTP	(2-NAPHTHALEN-2-YL-1-NAPHTHALEN- 1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID	A,B	1KYN	0.74
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.74
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.8
OSB	2-SUCCINYLBENZOATE	A	1FHV	0.74
OSB	2-SUCCINYLBENZOATE	A,B,C,D	1SJB	0.74
OSB	2-SUCCINYLBENZOATE	A,B	2QVH	0.74