Submission Details

MAR-UCB-ad2ff052
Molecule(s):
Cc1ccncc1NC(=O)N(C)c1cc(Cl)cc(OC2CC(=O)N2)c1

MAR-UCB-ad2ff052-1

Cc1ccncc1NC(=O)N(C)c1cc(Cl)cc(OC2CC(=O)N2)c1

3-aminopyridine-like Ordered Check Availability on Manifold View
CCN(C(=O)Nc1cnccc1C)c1cc(Cl)cc(OC2CC(=O)N2)c1

MAR-UCB-ad2ff052-2

CCN(C(=O)Nc1cnccc1C)c1cc(Cl)cc(OC2CC(=O)N2)c1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)N(CCC1CCCCC1)c1cc(Cl)cc(OC2CC(=O)N2)c1

MAR-UCB-ad2ff052-3
Duplicate of:
DAR-DIA-1d7f034a-1

Cc1ccncc1NC(=O)N(CCC1CCCCC1)c1cc(Cl)cc(OC2CC(=O)N2)c1

Duplicate 3-aminopyridine-like Ordered Check Availability on Manifold View
Design Rationale:

Merge Between TRY-UNI-2eddb1ff-7 and JOR-UNI-2fc98d0b-12 crystal structures to access P1, P2, P1' and P3 pockets

Inspired By:
Discussion:

Contributor: Mark Calmiano, UCB - Wed, 22 Jul 2020 07:34:32 +0000