MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02864139

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
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.75
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.75
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.75
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.75
HCI	HYDROCINNAMIC ACID	A	1TOI	0.75
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.75
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.75
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.78
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.78
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.78
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.78
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.78
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.78
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.78
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.74
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.74
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.74
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.74
HY1	PHENYLACETALDEHYDE	D,H	2I0S	0.84
HY1	PHENYLACETALDEHYDE	A,B	1D6Y	0.84
HY1	PHENYLACETALDEHYDE	A,B	1D6Z	0.84
HY1	PHENYLACETALDEHYDE	D,H	2OK4	0.84
HY1	PHENYLACETALDEHYDE	A,B	1D6U	0.84
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.78
BDB		A,B	1KE3	0.73
HBC	(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT- 2-YL)-PHENYL-METHANONE	H	1JGU	0.7
CPM	S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE- S-METHANE	A	1CPS	0.7
M5P	(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID	A,B	2YZ3	0.73
HPZ	(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A	2PUJ	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
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.76
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.76
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.76
HPX	(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A,B,C,D	2DSA	0.71
PYL	PHENYLETHANE	C	1B07	0.76
PYL	PHENYLETHANE	A,B	2VRM	0.76
PYL	PHENYLETHANE	A	1NHB	0.76
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.78
MBN	TOLUENE	A,B	3D7O	0.73
MBN	TOLUENE	A,B	1R1X	0.73
MBN	TOLUENE	A,B	1JLX	0.73
MBN	TOLUENE	A,B,C,D	3D17	0.73
MBN	TOLUENE	A,B	2VRL	0.73
MBN	TOLUENE	A,I	2Z3E	0.73
MBN	TOLUENE	A,B	1YZI	0.73
MBN	TOLUENE	A,B	2DN1	0.73
MBN	TOLUENE	A,B	3EN1	0.73
VK3	MENADIONE	A	1TUV	0.81
VK3	MENADIONE	A,B	2QR2	0.81
BTP	2-THIOMETHYL-3-PHENYLPROPANOIC ACID	A,B	1JAO	0.72
N4B	N-BUTYLBENZENE	A	186L	0.76
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.75
FLP	FLURBIPROFEN	A,B	1CQE	0.75
FLP	FLURBIPROFEN	A,B	1EQH	0.75
FLP	FLURBIPROFEN	A,B	2AYL	0.75
FLP	FLURBIPROFEN	A	1DVT	0.75
FLP	FLURBIPROFEN	A	1R9O	0.75
791	2-PHENYLMALONIC ACID	A	1O4P	0.73
3PL	3-PHENYLPROPANAL	E	1Y3G	0.83
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.76
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.75
I4B	ISOBUTYLBENZENE	A	184L	0.79
PXY	PARA-XYLENE	A	187L	0.76
PXY	PARA-XYLENE	A	225L	0.76
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.81
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.76
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.76
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.76
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.76
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.84
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.84
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.76
AC0	1-PHENYLETHANONE	A	1ZK1	0.87
AC0	1-PHENYLETHANONE	A	1ZK4	0.87
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.73
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.73
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.73
MQ8	MENAQUINONE 8	C,H,L,M	1EYS	0.8
HBX	benzaldehyde	A,B	3GDN	0.75
HZH	1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan- 2-one	A,B	3DEA	0.7
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.91
BFL		A,B	1Q4G	0.77
TRZ	TRAZEOLIDE	A	1C12	0.7
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.75
PAC	2-PHENYLACETIC ACID	B	1PNL	0.74
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.74
PAC	2-PHENYLACETIC ACID	B	1FXH	0.74
PAC	2-PHENYLACETIC ACID	A	2ISF	0.74
PAC	2-PHENYLACETIC ACID	A	2INE	0.74
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.74
IBP	IBUPROFEN	A	3FKX	0.81
IBP	IBUPROFEN	A,B	2BXG	0.81
IBP	IBUPROFEN	A,B	1EQG	0.81
IBP	IBUPROFEN	A,B,C	2WD9	0.81
IBP	IBUPROFEN	A	2PWS	0.81
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
1LP	TRANYLCYPROMINE	A,B	1OJB	0.89
OXE	ORTHO-XYLENE	A,B	3E0X	0.76
OXE	ORTHO-XYLENE	A	188L	0.76
ANQ	ACENAPHTHENEQUINONE	H,J	1OAX	0.73
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
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.85
FPR	PROPYLBENZENE	C	1RHK	0.76
DEN	INDENE	A	183L	0.71
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.72
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
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
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.76
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.72
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.79
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.79
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.79