MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03099018

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
IBP	IBUPROFEN	A	3FKX	0.73
IBP	IBUPROFEN	A,B	2BXG	0.73
IBP	IBUPROFEN	A,B	1EQG	0.73
IBP	IBUPROFEN	A,B,C	2WD9	0.73
IBP	IBUPROFEN	A	2PWS	0.73
MBN	TOLUENE	A,B	3D7O	0.7
MBN	TOLUENE	A,B	1R1X	0.7
MBN	TOLUENE	A,B	1JLX	0.7
MBN	TOLUENE	A,B,C,D	3D17	0.7
MBN	TOLUENE	A,B	2VRL	0.7
MBN	TOLUENE	A,I	2Z3E	0.7
MBN	TOLUENE	A,B	1YZI	0.7
MBN	TOLUENE	A,B	2DN1	0.7
MBN	TOLUENE	A,B	3EN1	0.7
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.74
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.72
FPR	PROPYLBENZENE	C	1RHK	0.73
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.75
BDB		A,B	1KE3	0.74
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
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.86
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
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	2OK9	0.73
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	1Z76	0.73
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A	1BK9	0.73
3PL	3-PHENYLPROPANAL	E	1Y3G	0.79
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	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
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.71
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.73
NPY	NAPHTHALENE	A,B	1O7G	0.77
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.7
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
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.84
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.83
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.74
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.74
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.74
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.74
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.74
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.72
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.72
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.72
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.72
HCI	HYDROCINNAMIC ACID	A	1TOI	0.72
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.72
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.72
I4B	ISOBUTYLBENZENE	A	184L	0.73
ANQ	ACENAPHTHENEQUINONE	H,J	1OAX	0.82
AC0	1-PHENYLETHANONE	A	1ZK1	0.84
AC0	1-PHENYLETHANONE	A	1ZK4	0.84
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.74
AN3	ANTHRACENE	A,B	2HMN	0.75
AN3	ANTHRACENE	A,B	2HMM	0.75
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.74
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.73
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	I	4ER1	0.71
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	A	1FQ5	0.71
MQ8	MENAQUINONE 8	C,H,L,M	1EYS	0.82
PXY	PARA-XYLENE	A	187L	0.71
PXY	PARA-XYLENE	A	225L	0.71
PYL	PHENYLETHANE	C	1B07	0.73
PYL	PHENYLETHANE	A,B	2VRM	0.73
PYL	PHENYLETHANE	A	1NHB	0.73
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.73
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.73
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.73
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.85
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.85
PEY	PHENANTHRENE	A,B	2HML	0.75
PEY	PHENANTHRENE	A,B	2HMK	0.75
N4B	N-BUTYLBENZENE	A	186L	0.73
VK3	MENADIONE	A	1TUV	0.84
VK3	MENADIONE	A,B	2QR2	0.84
HY1	PHENYLACETALDEHYDE	D,H	2I0S	0.81
HY1	PHENYLACETALDEHYDE	A,B	1D6Y	0.81
HY1	PHENYLACETALDEHYDE	A,B	1D6Z	0.81
HY1	PHENYLACETALDEHYDE	D,H	2OK4	0.81
HY1	PHENYLACETALDEHYDE	A,B	1D6U	0.81
MQ7	MENAQUINONE-7	C,H,L,M	1PRC	0.82
MQ7	MENAQUINONE-7	A,B,D,M,N,P	2B76	0.82
MQ7	MENAQUINONE-7	C,H,L,M	5PRC	0.82
MQ7	MENAQUINONE-7	C,H,L,M	7PRC	0.82
MQ7	MENAQUINONE-7	C,H,L,M	2PRC	0.82
MQ7	MENAQUINONE-7	C,H,L,M	1R2C	0.82
MQ7	MENAQUINONE-7	A,B,C,E,F,G	2VPW	0.82
MQ7	MENAQUINONE-7	C,H,L,M	3PRC	0.82
MQ7	MENAQUINONE-7	A,B,D,M,N,O,P	1L0V	0.82
MQ7	MENAQUINONE-7	C,H,L,M	2JBL	0.82
MQ7	MENAQUINONE-7	C,H,L,M	6PRC	0.82
OXE	ORTHO-XYLENE	A,B	3E0X	0.76
OXE	ORTHO-XYLENE	A	188L	0.76
HBX	benzaldehyde	A,B	3GDN	0.72
BFL		A,B	1Q4G	0.75
DEN	INDENE	A	183L	0.71
KTP	(2-NAPHTHALEN-2-YL-1-NAPHTHALEN- 1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID	A,B	1KYN	0.73
1LP	TRANYLCYPROMINE	A,B	1OJB	0.84
MQ9	MENAQUINONE-9	C,H,L,M	3D38	0.82
MQ9	MENAQUINONE-9	C,H,L,M	1VRN	0.82
MQ9	MENAQUINONE-9	C,H,L,M	2I5N	0.82
MQ9	MENAQUINONE-9	C,H,L,M,U	1DXR	0.82
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.71
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.71
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.71
NAM	NAM NAPTHYLAMINOALANINE	A,B,I,J	3FIV	0.73
NAM	NAM NAPTHYLAMINOALANINE	A,B,I,J	2FIV	0.73
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.84
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.77
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.77
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.74
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