MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00014765

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
OXE	ORTHO-XYLENE	A,B	3E0X	0.75
OXE	ORTHO-XYLENE	A	188L	0.75
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
VK3	MENADIONE	A	1TUV	0.8
VK3	MENADIONE	A,B	2QR2	0.8
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.82
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.82
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
C0E	3-fluoro-6-(4-fluorophenyl)-2-hydroxy- 6-oxohexa-2,4-dienoic acid	A	2RHW	0.76
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
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.79
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
MQ8	MENAQUINONE 8	C,H,L,M	1EYS	0.75
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.75
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.75
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
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.71
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.74
HPX	(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A,B,C,D	2DSA	0.71
MQ9	MENAQUINONE-9	C,H,L,M	3D38	0.75
MQ9	MENAQUINONE-9	C,H,L,M	1VRN	0.75
MQ9	MENAQUINONE-9	C,H,L,M	2I5N	0.75
MQ9	MENAQUINONE-9	C,H,L,M,U	1DXR	0.75
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.75
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
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.74
FLP	FLURBIPROFEN	A,B	1CQE	0.74
FLP	FLURBIPROFEN	A,B	1EQH	0.74
FLP	FLURBIPROFEN	A,B	2AYL	0.74
FLP	FLURBIPROFEN	A	1DVT	0.74
FLP	FLURBIPROFEN	A	1R9O	0.74
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.75
FPR	PROPYLBENZENE	C	1RHK	0.77
IBP	IBUPROFEN	A	3FKX	0.72
IBP	IBUPROFEN	A,B	2BXG	0.72
IBP	IBUPROFEN	A,B	1EQG	0.72
IBP	IBUPROFEN	A,B,C	2WD9	0.72
IBP	IBUPROFEN	A	2PWS	0.72
260	2-(bromomethyl)-1,3-difluorobenzene	X	2RB0	0.71
HBX	benzaldehyde	A,B	3GDN	0.76
I4B	ISOBUTYLBENZENE	A	184L	0.75
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
MQ7	MENAQUINONE-7	C,H,L,M	1PRC	0.75
MQ7	MENAQUINONE-7	A,B,D,M,N,P	2B76	0.75
MQ7	MENAQUINONE-7	C,H,L,M	5PRC	0.75
MQ7	MENAQUINONE-7	C,H,L,M	7PRC	0.75
MQ7	MENAQUINONE-7	C,H,L,M	2PRC	0.75
MQ7	MENAQUINONE-7	C,H,L,M	1R2C	0.75
MQ7	MENAQUINONE-7	A,B,C,E,F,G	2VPW	0.75
MQ7	MENAQUINONE-7	C,H,L,M	3PRC	0.75
MQ7	MENAQUINONE-7	A,B,D,M,N,O,P	1L0V	0.75
MQ7	MENAQUINONE-7	C,H,L,M	2JBL	0.75
MQ7	MENAQUINONE-7	C,H,L,M	6PRC	0.75
1LP	TRANYLCYPROMINE	A,B	1OJB	0.83
APF	1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN- 2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)	B,C	1GG6	0.7
APF	1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN- 2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)	G	6GCH	0.7
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
BFL		A,B	1Q4G	0.7
HZH	1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan- 2-one	A,B	3DEA	0.78
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.8
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
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.85
N4B	N-BUTYLBENZENE	A	186L	0.77
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.76
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
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.71
PYL	PHENYLETHANE	C	1B07	0.77
PYL	PHENYLETHANE	A,B	2VRM	0.77
PYL	PHENYLETHANE	A	1NHB	0.77
3PL	3-PHENYLPROPANAL	E	1Y3G	0.84
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.7
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.75
PQN	PHYLLOQUINONE	A,B,C,F,I,J, K,L,M,X	1JB0	0.75
PQN	PHYLLOQUINONE	1,2,3,4,A,B, C,F,G,H,I,J, K,L	2O01	0.75
PQN	PHYLLOQUINONE	A,B,C,F,K,L	2PPS	0.75
PQN	PHYLLOQUINONE	A,B,C,F,K,L	1C51	0.75
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	0.75