MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02347221

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
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.71
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.73
HBC	(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT- 2-YL)-PHENYL-METHANONE	H	1JGU	0.72
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.83
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.83
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.78
BBA	2,7-BIS-(4-AMIDINOBENZYLIDENE)- CYCLOHEPTAN-1-ONE	A,B	1A5H	0.7
BBA	2,7-BIS-(4-AMIDINOBENZYLIDENE)- CYCLOHEPTAN-1-ONE	T	1V2N	0.7
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.74
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.74
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.74
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.72
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.78
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
BDB		A,B	1KE3	0.73
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
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
ARL	7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA- 2,4,6-TRIENOIC ACID	A	1NQ7	0.71
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.72
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.74
FLP	FLURBIPROFEN	A,B	1CQE	0.74
FLP	FLURBIPROFEN	A,B	1EQH	0.74
FLP	FLURBIPROFEN	A,B	2AYL	0.74
FLP	FLURBIPROFEN	A	1DVT	0.74
FLP	FLURBIPROFEN	A	1R9O	0.74
I4B	ISOBUTYLBENZENE	A	184L	0.74
PYL	PHENYLETHANE	C	1B07	0.71
PYL	PHENYLETHANE	A,B	2VRM	0.71
PYL	PHENYLETHANE	A	1NHB	0.71
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.7
HBX	benzaldehyde	A,B	3GDN	0.71
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
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
N4B	N-BUTYLBENZENE	A	186L	0.71
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.74
TRZ	TRAZEOLIDE	A	1C12	0.72
PXY	PARA-XYLENE	A	187L	0.71
PXY	PARA-XYLENE	A	225L	0.71
3PL	3-PHENYLPROPANAL	E	1Y3G	0.78
AC0	1-PHENYLETHANONE	A	1ZK1	0.81
AC0	1-PHENYLETHANONE	A	1ZK4	0.81
MQ8	MENAQUINONE 8	C,H,L,M	1EYS	0.8
BFL		A,B	1Q4G	0.77
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.76
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.74
ANQ	ACENAPHTHENEQUINONE	H,J	1OAX	0.72
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.75
VK3	MENADIONE	A	1TUV	0.78
VK3	MENADIONE	A,B	2QR2	0.78
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.72
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
OXE	ORTHO-XYLENE	A,B	3E0X	0.71
OXE	ORTHO-XYLENE	A	188L	0.71
MQ9	MENAQUINONE-9	C,H,L,M	3D38	0.8
MQ9	MENAQUINONE-9	C,H,L,M	1VRN	0.8
MQ9	MENAQUINONE-9	C,H,L,M	2I5N	0.8
MQ9	MENAQUINONE-9	C,H,L,M,U	1DXR	0.8
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.85
FPR	PROPYLBENZENE	C	1RHK	0.71
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.72
1LP	TRANYLCYPROMINE	A,B	1OJB	0.84
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	2OK9	0.71
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	1Z76	0.71
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A	1BK9	0.71
MQ7	MENAQUINONE-7	C,H,L,M	1PRC	0.8
MQ7	MENAQUINONE-7	A,B,D,M,N,P	2B76	0.8
MQ7	MENAQUINONE-7	C,H,L,M	5PRC	0.8
MQ7	MENAQUINONE-7	C,H,L,M	7PRC	0.8
MQ7	MENAQUINONE-7	C,H,L,M	2PRC	0.8
MQ7	MENAQUINONE-7	C,H,L,M	1R2C	0.8
MQ7	MENAQUINONE-7	A,B,C,E,F,G	2VPW	0.8
MQ7	MENAQUINONE-7	C,H,L,M	3PRC	0.8
MQ7	MENAQUINONE-7	A,B,D,M,N,O,P	1L0V	0.8
MQ7	MENAQUINONE-7	C,H,L,M	2JBL	0.8
MQ7	MENAQUINONE-7	C,H,L,M	6PRC	0.8
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
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.84