MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02316156

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
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.82
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.73
MQ8	MENAQUINONE 8	C,H,L,M	1EYS	0.84
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.75
4AF	4-ACETYL-L-PHENYLALANINE	A	1ZH6	0.7
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.72
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
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.72
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.72
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.72
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.72
HSI	(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACID	A	2Z2D	0.71
BDB		A,B	1KE3	0.73
1LP	TRANYLCYPROMINE	A,B	1OJB	0.79
HPZ	(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A	2PUJ	0.76
MQ7	MENAQUINONE-7	C,H,L,M	1PRC	0.84
MQ7	MENAQUINONE-7	A,B,D,M,N,P	2B76	0.84
MQ7	MENAQUINONE-7	C,H,L,M	5PRC	0.84
MQ7	MENAQUINONE-7	C,H,L,M	7PRC	0.84
MQ7	MENAQUINONE-7	C,H,L,M	2PRC	0.84
MQ7	MENAQUINONE-7	C,H,L,M	1R2C	0.84
MQ7	MENAQUINONE-7	A,B,C,E,F,G	2VPW	0.84
MQ7	MENAQUINONE-7	C,H,L,M	3PRC	0.84
MQ7	MENAQUINONE-7	A,B,D,M,N,O,P	1L0V	0.84
MQ7	MENAQUINONE-7	C,H,L,M	2JBL	0.84
MQ7	MENAQUINONE-7	C,H,L,M	6PRC	0.84
825	[{2-bromo-4-[(2R)-3-oxo-2,3-diphenylpropyl]phenyl}(difluoro)methyl]phosphonic acid	A	3CWE	0.7
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.7
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.7
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.7
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.7
HCI	HYDROCINNAMIC ACID	A	1TOI	0.7
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.7
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.7
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.71
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.71
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.71
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.72
PBF	PARA-(BENZOYL)-PHENYLALANINE	A	2FR9	0.71
PBF	PARA-(BENZOYL)-PHENYLALANINE	A,B	1EEN	0.71
PBF	PARA-(BENZOYL)-PHENYLALANINE	A	2HGZ	0.71
PBF	PARA-(BENZOYL)-PHENYLALANINE	A	2FRB	0.71
HPX	(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A,B,C,D	2DSA	0.76
VK3	MENADIONE	A	1TUV	0.87
VK3	MENADIONE	A,B	2QR2	0.87
PYL	PHENYLETHANE	C	1B07	0.71
PYL	PHENYLETHANE	A,B	2VRM	0.71
PYL	PHENYLETHANE	A	1NHB	0.71
MQ9	MENAQUINONE-9	C,H,L,M	3D38	0.84
MQ9	MENAQUINONE-9	C,H,L,M	1VRN	0.84
MQ9	MENAQUINONE-9	C,H,L,M	2I5N	0.84
MQ9	MENAQUINONE-9	C,H,L,M,U	1DXR	0.84
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.73
N4B	N-BUTYLBENZENE	A	186L	0.71
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
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.74
HBX	benzaldehyde	A,B	3GDN	0.81
ANQ	ACENAPHTHENEQUINONE	H,J	1OAX	0.82
AC0	1-PHENYLETHANONE	A	1ZK1	0.93
AC0	1-PHENYLETHANONE	A	1ZK4	0.93
OSB	2-SUCCINYLBENZOATE	A	1FHV	0.7
OSB	2-SUCCINYLBENZOATE	A,B,C,D	1SJB	0.7
OSB	2-SUCCINYLBENZOATE	A,B	2QVH	0.7
PXY	PARA-XYLENE	A	187L	0.71
PXY	PARA-XYLENE	A	225L	0.71
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.87
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.75
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.7
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.7
3PL	3-PHENYLPROPANAL	E	1Y3G	0.78
C1E	(2Z,4E)-3-chloro-2-hydroxy-6-oxo- 6-phenylhexa-2,4-dienoic acid	A	2RHT	0.74
GW5	(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT- 1-ENYL]PHENYL}ACRYLIC ACID	A,B,C	1R5K	0.73
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.72
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.95
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.73
FBC		A,B	2B9A	0.72
I4B	ISOBUTYLBENZENE	A	184L	0.71
HBC	(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT- 2-YL)-PHENYL-METHANONE	H	1JGU	0.76
4PI	N-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINE	A,B	2NSD	0.72
156	4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID	A	1FCZ	0.71
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.88
PQN	PHYLLOQUINONE	A,B,C,F,I,J, K,L,M,X	1JB0	0.84
PQN	PHYLLOQUINONE	1,2,3,4,A,B, C,F,G,H,I,J, K,L	2O01	0.84
PQN	PHYLLOQUINONE	A,B,C,F,K,L	2PPS	0.84
PQN	PHYLLOQUINONE	A,B,C,F,K,L	1C51	0.84
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	0.84
PAC	2-PHENYLACETIC ACID	B	1PNL	0.7
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.7
PAC	2-PHENYLACETIC ACID	B	1FXH	0.7
PAC	2-PHENYLACETIC ACID	A	2ISF	0.7
PAC	2-PHENYLACETIC ACID	A	2INE	0.7
KTP	(2-NAPHTHALEN-2-YL-1-NAPHTHALEN- 1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID	A,B	1KYN	0.75
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
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.71
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.71
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.71
BFL		A,B	1Q4G	0.75
FPR	PROPYLBENZENE	C	1RHK	0.71
4FC		A	1YSG	0.73
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.97
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.97
4MA	4-METHYLBENZOIC ACID	A,H	2HRG	0.72
C0E	3-fluoro-6-(4-fluorophenyl)-2-hydroxy- 6-oxohexa-2,4-dienoic acid	A	2RHW	0.73
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.72
26C		A,B	2F7I	0.72
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	2OK9	0.81
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	1Z76	0.81
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A	1BK9	0.81
HY1	PHENYLACETALDEHYDE	D,H	2I0S	0.79
HY1	PHENYLACETALDEHYDE	A,B	1D6Y	0.79
HY1	PHENYLACETALDEHYDE	A,B	1D6Z	0.79
HY1	PHENYLACETALDEHYDE	D,H	2OK4	0.79
HY1	PHENYLACETALDEHYDE	A,B	1D6U	0.79
CIN	4-CARBOXYCINNAMIC ACID	A,B,C,D	1HAB	0.7
CIN	4-CARBOXYCINNAMIC ACID	A,B	1T6J	0.7
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.71
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.84