MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03003417

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
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
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.77
FLP	FLURBIPROFEN	A,B	1CQE	0.77
FLP	FLURBIPROFEN	A,B	1EQH	0.77
FLP	FLURBIPROFEN	A,B	2AYL	0.77
FLP	FLURBIPROFEN	A	1DVT	0.77
FLP	FLURBIPROFEN	A	1R9O	0.77
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.87
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.74
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.72
791	2-PHENYLMALONIC ACID	A	1O4P	0.7
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.73
OST	METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE	C,D,E	1SQQ	0.72
PXY	PARA-XYLENE	A	187L	0.72
PXY	PARA-XYLENE	A	225L	0.72
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.75
PAC	2-PHENYLACETIC ACID	B	1PNL	0.71
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.71
PAC	2-PHENYLACETIC ACID	B	1FXH	0.71
PAC	2-PHENYLACETIC ACID	A	2ISF	0.71
PAC	2-PHENYLACETIC ACID	A	2INE	0.71
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.73
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.73
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.73
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.73
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.71
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.71
BFL		A,B	1Q4G	0.8
GW5	(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT- 1-ENYL]PHENYL}ACRYLIC ACID	A,B,C	1R5K	0.71
HBC	(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT- 2-YL)-PHENYL-METHANONE	H	1JGU	0.74
IBP	IBUPROFEN	A	3FKX	0.78
IBP	IBUPROFEN	A,B	2BXG	0.78
IBP	IBUPROFEN	A,B	1EQG	0.78
IBP	IBUPROFEN	A,B,C	2WD9	0.78
IBP	IBUPROFEN	A	2PWS	0.78
PQN	PHYLLOQUINONE	A,B,C,F,I,J, K,L,M,X	1JB0	0.83
PQN	PHYLLOQUINONE	1,2,3,4,A,B, C,F,G,H,I,J, K,L	2O01	0.83
PQN	PHYLLOQUINONE	A,B,C,F,K,L	2PPS	0.83
PQN	PHYLLOQUINONE	A,B,C,F,K,L	1C51	0.83
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	0.83
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.75
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.75
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.75
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.75
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.75
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.75
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
FPR	PROPYLBENZENE	C	1RHK	0.72
VK3	MENADIONE	A	1TUV	0.79
VK3	MENADIONE	A,B	2QR2	0.79
HBX	benzaldehyde	A,B	3GDN	0.71
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.7
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.7
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.7
I4B	ISOBUTYLBENZENE	A	184L	0.75
BBA	2,7-BIS-(4-AMIDINOBENZYLIDENE)- CYCLOHEPTAN-1-ONE	A,B	1A5H	0.73
BBA	2,7-BIS-(4-AMIDINOBENZYLIDENE)- CYCLOHEPTAN-1-ONE	T	1V2N	0.73
OXE	ORTHO-XYLENE	A,B	3E0X	0.72
OXE	ORTHO-XYLENE	A	188L	0.72
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.86
MQ9	MENAQUINONE-9	C,H,L,M	3D38	0.81
MQ9	MENAQUINONE-9	C,H,L,M	1VRN	0.81
MQ9	MENAQUINONE-9	C,H,L,M	2I5N	0.81
MQ9	MENAQUINONE-9	C,H,L,M,U	1DXR	0.81
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	I	4ER1	0.71
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	A	1FQ5	0.71
HY1	PHENYLACETALDEHYDE	D,H	2I0S	0.8
HY1	PHENYLACETALDEHYDE	A,B	1D6Y	0.8
HY1	PHENYLACETALDEHYDE	A,B	1D6Z	0.8
HY1	PHENYLACETALDEHYDE	D,H	2OK4	0.8
HY1	PHENYLACETALDEHYDE	A,B	1D6U	0.8
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.79
3PL	3-PHENYLPROPANAL	E	1Y3G	0.78
MQ7	MENAQUINONE-7	C,H,L,M	1PRC	0.81
MQ7	MENAQUINONE-7	A,B,D,M,N,P	2B76	0.81
MQ7	MENAQUINONE-7	C,H,L,M	5PRC	0.81
MQ7	MENAQUINONE-7	C,H,L,M	7PRC	0.81
MQ7	MENAQUINONE-7	C,H,L,M	2PRC	0.81
MQ7	MENAQUINONE-7	C,H,L,M	1R2C	0.81
MQ7	MENAQUINONE-7	A,B,C,E,F,G	2VPW	0.81
MQ7	MENAQUINONE-7	C,H,L,M	3PRC	0.81
MQ7	MENAQUINONE-7	A,B,D,M,N,O,P	1L0V	0.81
MQ7	MENAQUINONE-7	C,H,L,M	2JBL	0.81
MQ7	MENAQUINONE-7	C,H,L,M	6PRC	0.81
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.73
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.79
KTP	(2-NAPHTHALEN-2-YL-1-NAPHTHALEN- 1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID	A,B	1KYN	0.72
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.7
1LP	TRANYLCYPROMINE	A,B	1OJB	0.85
ANQ	ACENAPHTHENEQUINONE	H,J	1OAX	0.75
AN3	ANTHRACENE	A,B	2HMN	0.7
AN3	ANTHRACENE	A,B	2HMM	0.7
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.71
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.71
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.71
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.71
HCI	HYDROCINNAMIC ACID	A	1TOI	0.71
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.71
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.71
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.73
N4B	N-BUTYLBENZENE	A	186L	0.72
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.72
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.86
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.86
PYL	PHENYLETHANE	C	1B07	0.72
PYL	PHENYLETHANE	A,B	2VRM	0.72
PYL	PHENYLETHANE	A	1NHB	0.72
AC0	1-PHENYLETHANONE	A	1ZK1	0.83
AC0	1-PHENYLETHANONE	A	1ZK4	0.83
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.71
BDB		A,B	1KE3	0.76
MQ8	MENAQUINONE 8	C,H,L,M	1EYS	0.81
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.78
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.77
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.72
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.72
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.72
NPY	NAPHTHALENE	A,B	1O7G	0.71
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.8
PEY	PHENANTHRENE	A,B	2HML	0.7
PEY	PHENANTHRENE	A,B	2HMK	0.7