MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03267885

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
HY1	PHENYLACETALDEHYDE	D,H	2I0S	0.85
HY1	PHENYLACETALDEHYDE	A,B	1D6Y	0.85
HY1	PHENYLACETALDEHYDE	A,B	1D6Z	0.85
HY1	PHENYLACETALDEHYDE	D,H	2OK4	0.85
HY1	PHENYLACETALDEHYDE	A,B	1D6U	0.85
1LP	TRANYLCYPROMINE	A,B	1OJB	0.88
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.72
M5P	(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID	A,B	2YZ3	0.7
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.87
BDB		A,B	1KE3	0.74
PQN	PHYLLOQUINONE	A,B,C,F,I,J, K,L,M,X	1JB0	0.79
PQN	PHYLLOQUINONE	1,2,3,4,A,B, C,F,G,H,I,J, K,L	2O01	0.79
PQN	PHYLLOQUINONE	A,B,C,F,K,L	2PPS	0.79
PQN	PHYLLOQUINONE	A,B,C,F,K,L	1C51	0.79
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	0.79
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.72
FLP	FLURBIPROFEN	A,B	1CQE	0.72
FLP	FLURBIPROFEN	A,B	1EQH	0.72
FLP	FLURBIPROFEN	A,B	2AYL	0.72
FLP	FLURBIPROFEN	A	1DVT	0.72
FLP	FLURBIPROFEN	A	1R9O	0.72
791	2-PHENYLMALONIC ACID	A	1O4P	0.72
I4B	ISOBUTYLBENZENE	A	184L	0.77
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.75
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.75
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.75
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.77
HZH	1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan- 2-one	A,B	3DEA	0.71
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.77
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.77
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.77
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.77
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.77
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.77
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.77
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.77
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.77
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.77
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.77
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.73
VK3	MENADIONE	A	1TUV	0.82
VK3	MENADIONE	A,B	2QR2	0.82
PXY	PARA-XYLENE	A	187L	0.75
PXY	PARA-XYLENE	A	225L	0.75
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.7
HPZ	(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A	2PUJ	0.71
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.76
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.76
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.76
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.77
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.71
HPX	(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A,B,C,D	2DSA	0.71
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.71
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.78
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.78
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.78
DEN	INDENE	A	183L	0.72
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.83
FPR	PROPYLBENZENE	C	1RHK	0.77
HBX	benzaldehyde	A,B	3GDN	0.76
MBN	TOLUENE	A,B	3D7O	0.74
MBN	TOLUENE	A,B	1R1X	0.74
MBN	TOLUENE	A,B	1JLX	0.74
MBN	TOLUENE	A,B,C,D	3D17	0.74
MBN	TOLUENE	A,B	2VRL	0.74
MBN	TOLUENE	A,I	2Z3E	0.74
MBN	TOLUENE	A,B	1YZI	0.74
MBN	TOLUENE	A,B	2DN1	0.74
MBN	TOLUENE	A,B	3EN1	0.74
OXE	ORTHO-XYLENE	A,B	3E0X	0.77
OXE	ORTHO-XYLENE	A	188L	0.77
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.74
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.79
PAC	2-PHENYLACETIC ACID	B	1PNL	0.75
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.75
PAC	2-PHENYLACETIC ACID	B	1FXH	0.75
PAC	2-PHENYLACETIC ACID	A	2ISF	0.75
PAC	2-PHENYLACETIC ACID	A	2INE	0.75
AC0	1-PHENYLETHANONE	A	1ZK1	0.88
AC0	1-PHENYLETHANONE	A	1ZK4	0.88
MQ7	MENAQUINONE-7	C,H,L,M	1PRC	0.79
MQ7	MENAQUINONE-7	A,B,D,M,N,P	2B76	0.79
MQ7	MENAQUINONE-7	C,H,L,M	5PRC	0.79
MQ7	MENAQUINONE-7	C,H,L,M	7PRC	0.79
MQ7	MENAQUINONE-7	C,H,L,M	2PRC	0.79
MQ7	MENAQUINONE-7	C,H,L,M	1R2C	0.79
MQ7	MENAQUINONE-7	A,B,C,E,F,G	2VPW	0.79
MQ7	MENAQUINONE-7	C,H,L,M	3PRC	0.79
MQ7	MENAQUINONE-7	A,B,D,M,N,O,P	1L0V	0.79
MQ7	MENAQUINONE-7	C,H,L,M	2JBL	0.79
MQ7	MENAQUINONE-7	C,H,L,M	6PRC	0.79
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.85
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.85
MQ9	MENAQUINONE-9	C,H,L,M	3D38	0.79
MQ9	MENAQUINONE-9	C,H,L,M	1VRN	0.79
MQ9	MENAQUINONE-9	C,H,L,M	2I5N	0.79
MQ9	MENAQUINONE-9	C,H,L,M,U	1DXR	0.79
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.77
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.76
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.76
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.76
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.76
HCI	HYDROCINNAMIC ACID	A	1TOI	0.76
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.76
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.76
ANQ	ACENAPHTHENEQUINONE	H,J	1OAX	0.73
IBP	IBUPROFEN	A	3FKX	0.76
IBP	IBUPROFEN	A,B	2BXG	0.76
IBP	IBUPROFEN	A,B	1EQG	0.76
IBP	IBUPROFEN	A,B,C	2WD9	0.76
IBP	IBUPROFEN	A	2PWS	0.76
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MRA	0.71
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MNS	0.71
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1DTN	0.71
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MDR	0.71
MQ8	MENAQUINONE 8	C,H,L,M	1EYS	0.79
N4B	N-BUTYLBENZENE	A	186L	0.77
BTP	2-THIOMETHYL-3-PHENYLPROPANOIC ACID	A,B	1JAO	0.71
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	2OK9	0.76
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	1Z76	0.76
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A	1BK9	0.76
PYL	PHENYLETHANE	C	1B07	0.77
PYL	PHENYLETHANE	A,B	2VRM	0.77
PYL	PHENYLETHANE	A	1NHB	0.77
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.82
BFL		A,B	1Q4G	0.74
3PL	3-PHENYLPROPANAL	E	1Y3G	0.84
ARL	7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA- 2,4,6-TRIENOIC ACID	A	1NQ7	0.72
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.75
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.72
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.72
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.72
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.79