MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02391435

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
3PL	3-PHENYLPROPANAL	E	1Y3G	0.81
OST	METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE	C,D,E	1SQQ	0.7
BFL		A,B	1Q4G	0.76
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
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	2OK9	0.74
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	1Z76	0.74
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A	1BK9	0.74
IBP	IBUPROFEN	A	3FKX	0.75
IBP	IBUPROFEN	A,B	2BXG	0.75
IBP	IBUPROFEN	A,B	1EQG	0.75
IBP	IBUPROFEN	A,B,C	2WD9	0.75
IBP	IBUPROFEN	A	2PWS	0.75
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.73
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.73
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.73
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.73
HCI	HYDROCINNAMIC ACID	A	1TOI	0.73
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.73
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.73
FPR	PROPYLBENZENE	C	1RHK	0.74
BDB		A,B	1KE3	0.75
PXY	PARA-XYLENE	A	187L	0.72
PXY	PARA-XYLENE	A	225L	0.72
OXE	ORTHO-XYLENE	A,B	3E0X	0.74
OXE	ORTHO-XYLENE	A	188L	0.74
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.75
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.71
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.71
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.72
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.72
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.72
AC0	1-PHENYLETHANONE	A	1ZK1	0.85
AC0	1-PHENYLETHANONE	A	1ZK4	0.85
I4B	ISOBUTYLBENZENE	A	184L	0.74
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.75
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.75
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.75
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.75
VK3	MENADIONE	A	1TUV	0.81
VK3	MENADIONE	A,B	2QR2	0.81
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.73
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.74
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
PQN	PHYLLOQUINONE	A,B,C,F,I,J, K,L,M,X	1JB0	0.8
PQN	PHYLLOQUINONE	1,2,3,4,A,B, C,F,G,H,I,J, K,L	2O01	0.8
PQN	PHYLLOQUINONE	A,B,C,F,K,L	2PPS	0.8
PQN	PHYLLOQUINONE	A,B,C,F,K,L	1C51	0.8
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	0.8
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
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.86
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.72
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.75
MBN	TOLUENE	A,B	3D7O	0.71
MBN	TOLUENE	A,B	1R1X	0.71
MBN	TOLUENE	A,B	1JLX	0.71
MBN	TOLUENE	A,B,C,D	3D17	0.71
MBN	TOLUENE	A,B	2VRL	0.71
MBN	TOLUENE	A,I	2Z3E	0.71
MBN	TOLUENE	A,B	1YZI	0.71
MBN	TOLUENE	A,B	2DN1	0.71
MBN	TOLUENE	A,B	3EN1	0.71
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.81
N4B	N-BUTYLBENZENE	A	186L	0.74
MQ8	MENAQUINONE 8	C,H,L,M	1EYS	0.8
PYL	PHENYLETHANE	C	1B07	0.74
PYL	PHENYLETHANE	A,B	2VRM	0.74
PYL	PHENYLETHANE	A	1NHB	0.74
HY1	PHENYLACETALDEHYDE	D,H	2I0S	0.82
HY1	PHENYLACETALDEHYDE	A,B	1D6Y	0.82
HY1	PHENYLACETALDEHYDE	A,B	1D6Z	0.82
HY1	PHENYLACETALDEHYDE	D,H	2OK4	0.82
HY1	PHENYLACETALDEHYDE	A,B	1D6U	0.82
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.75
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.74
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.74
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.74
HBC	(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT- 2-YL)-PHENYL-METHANONE	H	1JGU	0.71
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	0.71
HBX	benzaldehyde	A,B	3GDN	0.73
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.75
1LP	TRANYLCYPROMINE	A,B	1OJB	0.85
ANQ	ACENAPHTHENEQUINONE	H,J	1OAX	0.75
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
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.85
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.76
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
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	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
ARL	7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA- 2,4,6-TRIENOIC ACID	A	1NQ7	0.72
NPY	NAPHTHALENE	A,B	1O7G	0.71
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.8
PAC	2-PHENYLACETIC ACID	B	1PNL	0.72
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.72
PAC	2-PHENYLACETIC ACID	B	1FXH	0.72
PAC	2-PHENYLACETIC ACID	A	2ISF	0.72
PAC	2-PHENYLACETIC ACID	A	2INE	0.72